 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer05_STD_M11_def2SVPD.in
 Output=21_phenylethanol_conformer05_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-32551.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32571.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer05_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer05_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.206683000000      0.991247000000     -0.693458000000
  C                                                -1.642229000000     -0.263628000000     -0.312054000000
  H                                                -3.164880000000      0.922730000000     -0.631250000000
  H                                                -1.839152000000     -1.004057000000     -1.098273000000
  C                                                -2.254977000000     -0.761668000000      0.996255000000
  C                                                -0.146221000000     -0.098970000000     -0.189451000000
  H                                                -1.821288000000     -1.719640000000      1.286063000000
  H                                                -3.335121000000     -0.898007000000      0.890460000000
  H                                                -2.067076000000     -0.041194000000      1.793736000000
  C                                                 0.419918000000      1.122300000000      0.166451000000
  C                                                 1.795424000000      1.237450000000      0.329195000000
  C                                                 2.619920000000      0.134599000000      0.141627000000
  C                                                 2.060837000000     -1.086536000000     -0.217112000000
  C                                                 0.686656000000     -1.198736000000     -0.383700000000
  H                                                -0.222613000000      1.980785000000      0.301021000000
  H                                                 2.224694000000      2.193556000000      0.600973000000
  H                                                 3.691054000000      0.226969000000      0.266922000000
  H                                                 2.695233000000     -1.949451000000     -0.374819000000
  H                                                 0.256637000000     -2.150534000000     -0.674443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.427862   0.000000
     3  H    0.962656   1.956476   0.000000
     4  H    2.068863   1.097795   2.384989   0.000000
     5  C    2.435195   1.528128   2.512746   2.149119   0.000000
     6  C    2.384974   1.510028   3.217353   2.123948   2.508370
     7  H    3.378748   2.169334   3.530361   2.489465   1.090773
     8  H    2.711356   2.171258   2.379005   2.490829   1.093843
     9  H    2.696583   2.159704   2.831056   3.056595   1.091039
    10  C    2.766885   2.530260   3.677898   3.350271   3.375348
    11  C    4.138030   3.805508   5.062225   4.502462   4.565872
    12  C    4.972656   4.304686   5.889177   4.766258   5.029742
    13  C    4.770306   3.794587   5.613981   3.999145   4.494891
    14  C    3.641893   2.510630   4.404115   2.632151   3.278492
    15  H    2.429960   2.725539   3.262751   3.671581   3.483519
    16  H    4.770556   4.671666   5.672819   5.443070   5.381175
    17  H    6.024098   5.387003   6.949434   5.827723   6.071624
    18  H    5.725209   4.653978   6.531164   4.688049   5.272120
    19  H    3.992380   2.701376   4.599304   2.426185   3.320901
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.758544   0.000000
     8  H    3.460311   1.767278   0.000000
     9  H    2.761531   1.770685   1.777069   0.000000
    10  C    1.392365   3.788556   4.325060   3.191695   0.000000
    11  C    2.413503   4.768709   5.585489   4.324201   1.389878
    12  C    2.795658   4.946945   6.090118   4.972756   2.411675
    13  C    2.418089   4.210849   5.511680   4.709131   2.778253
    14  C    1.393163   3.057651   4.229493   3.696508   2.400213
    15  H    2.138172   4.149604   4.280489   3.117473   1.080718
    16  H    3.391413   5.670311   6.368132   4.983581   2.143272
    17  H    3.878040   5.934126   7.142934   5.963148   3.392940
    18  H    3.395954   4.817707   6.250731   5.569889   3.860788
    19  H    2.146259   2.889122   4.113207   3.992601   3.383076
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389696   0.000000
    13  C    2.402042   1.390122   0.000000
    14  C    2.769944   2.406504   1.388781   0.000000
    15  H    2.150771   3.393200   3.858894   3.377124   0.000000
    16  H    1.082716   2.146277   3.384541   3.852634   2.474784
    17  H    2.149038   1.082386   2.148765   3.388562   4.288802
    18  H    3.385503   2.148407   1.082567   2.144303   4.941390
    19  H    3.854036   3.387168   2.143917   1.084144   4.271886
                   16         17         18         19
    16  H    0.000000
    17  H    2.475735   0.000000
    18  H    4.282299   2.477962   0.000000
    19  H    4.936705   4.281811   2.465149   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4754003           1.1392966           0.9690623
 Leave Link  202 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.8905530360 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.37D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer05_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:44:01 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.566333795816    
 DIIS: error= 5.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.566333795816     IErMin= 1 ErrMin= 5.13D-03
 ErrMax= 5.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-02 BMatP= 1.41D-02
 IDIUse=3 WtCom= 9.49D-01 WtEn= 5.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.405 Goal=   None    Shift=    0.000
 GapD=    0.405 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.28D-02 MaxDP=3.61D-01              OVMax= 1.99D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.07D-02    CP:  1.22D+00
 E= -385.581608814522     Delta-E=       -0.015275018706 Rises=F Damp=F
 DIIS: error= 1.35D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.581608814522     IErMin= 2 ErrMin= 1.35D-03
 ErrMax= 1.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.27D-04 BMatP= 1.41D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.35D-02
 Coeff-Com: -0.382D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.377D-01 0.104D+01
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=2.84D-03 MaxDP=8.55D-02 DE=-1.53D-02 OVMax= 8.91D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.29D-03    CP:  1.29D+00  1.14D+00
 E= -385.582136251818     Delta-E=       -0.000527437296 Rises=F Damp=F
 DIIS: error= 1.34D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.582136251818     IErMin= 3 ErrMin= 1.34D-03
 ErrMax= 1.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.06D-04 BMatP= 6.27D-04
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.34D-02
 Coeff-Com: -0.669D-01 0.510D+00 0.557D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.661D-01 0.503D+00 0.563D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=3.19D-04 MaxDP=1.21D-02 DE=-5.27D-04 OVMax= 4.59D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.68D-04    CP:  1.29D+00  1.16D+00  1.08D+00
 E= -385.582480784757     Delta-E=       -0.000344532940 Rises=F Damp=F
 DIIS: error= 1.68D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.582480784757     IErMin= 4 ErrMin= 1.68D-04
 ErrMax= 1.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.42D-06 BMatP= 5.06D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.68D-03
 Coeff-Com: -0.418D-02-0.368D-01 0.676D-01 0.973D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.417D-02-0.367D-01 0.675D-01 0.973D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=4.27D-03 DE=-3.45D-04 OVMax= 1.09D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.08D-04    CP:  1.29D+00  1.16D+00  1.10D+00  1.17D+00
 E= -385.582493553011     Delta-E=       -0.000012768253 Rises=F Damp=F
 DIIS: error= 3.21D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.582493553011     IErMin= 5 ErrMin= 3.21D-05
 ErrMax= 3.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.31D-07 BMatP= 9.42D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.312D-02-0.392D-01-0.233D-01 0.239D+00 0.820D+00
 Coeff:      0.312D-02-0.392D-01-0.233D-01 0.239D+00 0.820D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=2.61D-05 MaxDP=6.99D-04 DE=-1.28D-05 OVMax= 2.99D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.78D-05    CP:  1.29D+00  1.16D+00  1.11D+00  1.22D+00  1.09D+00
 E= -385.582494843399     Delta-E=       -0.000001290388 Rises=F Damp=F
 DIIS: error= 1.32D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.582494843399     IErMin= 6 ErrMin= 1.32D-05
 ErrMax= 1.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-07 BMatP= 9.31D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-02-0.872D-02-0.138D-01-0.138D-01 0.241D+00 0.794D+00
 Coeff:      0.127D-02-0.872D-02-0.138D-01-0.138D-01 0.241D+00 0.794D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.09D-05 MaxDP=2.60D-04 DE=-1.29D-06 OVMax= 1.31D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.31D-06    CP:  1.29D+00  1.16D+00  1.11D+00  1.23D+00  1.14D+00
                    CP:  9.92D-01
 E= -385.582495016136     Delta-E=       -0.000000172737 Rises=F Damp=F
 DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.582495016136     IErMin= 7 ErrMin= 3.17D-06
 ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-08 BMatP= 1.16D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.331D-04 0.235D-02-0.693D-03-0.308D-01-0.443D-01 0.164D+00
 Coeff-Com:  0.910D+00
 Coeff:     -0.331D-04 0.235D-02-0.693D-03-0.308D-01-0.443D-01 0.164D+00
 Coeff:      0.910D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=3.72D-06 MaxDP=7.72D-05 DE=-1.73D-07 OVMax= 5.67D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.07D-06    CP:  1.29D+00  1.16D+00  1.11D+00  1.23D+00  1.16D+00
                    CP:  1.07D+00  1.05D+00
 E= -385.582495037132     Delta-E=       -0.000000020996 Rises=F Damp=F
 DIIS: error= 1.63D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.582495037132     IErMin= 8 ErrMin= 1.63D-06
 ErrMax= 1.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-09 BMatP= 1.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-03 0.211D-02 0.152D-02-0.109D-01-0.478D-01-0.354D-01
 Coeff-Com:  0.363D+00 0.728D+00
 Coeff:     -0.174D-03 0.211D-02 0.152D-02-0.109D-01-0.478D-01-0.354D-01
 Coeff:      0.363D+00 0.728D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.14D-06 MaxDP=2.96D-05 DE=-2.10D-08 OVMax= 1.76D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.66D-07    CP:  1.29D+00  1.16D+00  1.11D+00  1.23D+00  1.16D+00
                    CP:  1.07D+00  1.10D+00  1.01D+00
 E= -385.582495040317     Delta-E=       -0.000000003184 Rises=F Damp=F
 DIIS: error= 3.42D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.582495040317     IErMin= 9 ErrMin= 3.42D-07
 ErrMax= 3.42D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.77D-11 BMatP= 2.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.183D-04 0.895D-04 0.230D-03 0.858D-03-0.192D-02-0.167D-01
 Coeff-Com: -0.236D-01 0.843D-01 0.957D+00
 Coeff:     -0.183D-04 0.895D-04 0.230D-03 0.858D-03-0.192D-02-0.167D-01
 Coeff:     -0.236D-01 0.843D-01 0.957D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=5.29D-07 MaxDP=1.43D-05 DE=-3.18D-09 OVMax= 5.28D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.50D-07    CP:  1.29D+00  1.16D+00  1.11D+00  1.23D+00  1.16D+00
                    CP:  1.07D+00  1.11D+00  1.08D+00  1.12D+00
 E= -385.582495040445     Delta-E=       -0.000000000128 Rises=F Damp=F
 DIIS: error= 1.48D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.582495040445     IErMin=10 ErrMin= 1.48D-07
 ErrMax= 1.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-11 BMatP= 6.77D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.891D-05-0.156D-03-0.615D-04 0.122D-02 0.358D-02-0.259D-02
 Coeff-Com: -0.380D-01-0.373D-01 0.314D+00 0.760D+00
 Coeff:      0.891D-05-0.156D-03-0.615D-04 0.122D-02 0.358D-02-0.259D-02
 Coeff:     -0.380D-01-0.373D-01 0.314D+00 0.760D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.12D-07 MaxDP=3.56D-06 DE=-1.28D-10 OVMax= 1.77D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.09D-08    CP:  1.29D+00  1.16D+00  1.11D+00  1.23D+00  1.16D+00
                    CP:  1.06D+00  1.11D+00  1.08D+00  1.16D+00  1.08D+00
 E= -385.582495040478     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 5.11D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.582495040478     IErMin=11 ErrMin= 5.11D-08
 ErrMax= 5.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-12 BMatP= 1.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.341D-05-0.361D-04-0.346D-04 0.141D-03 0.846D-03 0.109D-02
 Coeff-Com: -0.421D-02-0.163D-01-0.405D-01 0.122D+00 0.937D+00
 Coeff:      0.341D-05-0.361D-04-0.346D-04 0.141D-03 0.846D-03 0.109D-02
 Coeff:     -0.421D-02-0.163D-01-0.405D-01 0.122D+00 0.937D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=4.63D-08 MaxDP=1.15D-06 DE=-3.32D-11 OVMax= 1.05D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.00D-08    CP:  1.29D+00  1.16D+00  1.11D+00  1.23D+00  1.16D+00
                    CP:  1.06D+00  1.11D+00  1.08D+00  1.18D+00  1.16D+00
                    CP:  1.26D+00
 E= -385.582495040466     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 2.67D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -385.582495040478     IErMin=12 ErrMin= 2.67D-08
 ErrMax= 2.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-13 BMatP= 1.08D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.473D-06 0.139D-04 0.109D-06-0.142D-03-0.303D-03 0.651D-03
 Coeff-Com:  0.450D-02 0.107D-02-0.549D-01-0.847D-01 0.228D+00 0.906D+00
 Coeff:     -0.473D-06 0.139D-04 0.109D-06-0.142D-03-0.303D-03 0.651D-03
 Coeff:      0.450D-02 0.107D-02-0.549D-01-0.847D-01 0.228D+00 0.906D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=2.11D-08 MaxDP=6.65D-07 DE= 1.21D-11 OVMax= 7.24D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.07D-08    CP:  1.29D+00  1.16D+00  1.11D+00  1.23D+00  1.16D+00
                    CP:  1.06D+00  1.11D+00  1.08D+00  1.18D+00  1.18D+00
                    CP:  1.39D+00  1.25D+00
 E= -385.582495040464     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 1.47D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -385.582495040478     IErMin=13 ErrMin= 1.47D-08
 ErrMax= 1.47D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-14 BMatP= 2.35D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.694D-06 0.968D-05 0.643D-05-0.620D-04-0.229D-03-0.554D-04
 Coeff-Com:  0.189D-02 0.345D-02-0.545D-02-0.477D-01-0.132D+00 0.269D+00
 Coeff-Com:  0.912D+00
 Coeff:     -0.694D-06 0.968D-05 0.643D-05-0.620D-04-0.229D-03-0.554D-04
 Coeff:      0.189D-02 0.345D-02-0.545D-02-0.477D-01-0.132D+00 0.269D+00
 Coeff:      0.912D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.02D-08 MaxDP=2.52D-07 DE= 1.59D-12 OVMax= 3.80D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.02D-09    CP:  1.29D+00  1.16D+00  1.11D+00  1.23D+00  1.16D+00
                    CP:  1.06D+00  1.11D+00  1.08D+00  1.18D+00  1.18D+00
                    CP:  1.43D+00  1.42D+00  1.13D+00
 E= -385.582495040481     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 4.54D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -385.582495040481     IErMin=14 ErrMin= 4.54D-09
 ErrMax= 4.54D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.72D-15 BMatP= 5.73D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.285D-07-0.138D-05 0.124D-05 0.206D-04 0.380D-04-0.153D-03
 Coeff-Com: -0.749D-03 0.358D-03 0.123D-01 0.119D-01-0.804D-01-0.162D+00
 Coeff-Com:  0.157D+00 0.106D+01
 Coeff:     -0.285D-07-0.138D-05 0.124D-05 0.206D-04 0.380D-04-0.153D-03
 Coeff:     -0.749D-03 0.358D-03 0.123D-01 0.119D-01-0.804D-01-0.162D+00
 Coeff:      0.157D+00 0.106D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=4.71D-09 MaxDP=1.40D-07 DE=-1.64D-11 OVMax= 2.00D-07

 SCF Done:  E(RM11) =  -385.582495040     A.U. after   14 cycles
            NFock= 14  Conv=0.47D-08     -V/T= 2.0119
 KE= 3.810312739638D+02 PE=-1.746319968526D+03 EE= 5.538156464858D+02
 Leave Link  502 at Thu Aug 12 21:45:35 2021, MaxMem=  5368709120 cpu:             753.9 elap:              94.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.71906393D+02

 Leave Link  801 at Thu Aug 12 21:45:35 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 3.39D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 1.82D-01 6.52D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 2.69D-02 4.69D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.45D-03 1.15D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 1.52D-04 2.94D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 7.27D-06 3.70D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 2.61D-07 8.62D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 7.41D-09 1.20D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.61D-10 1.93D-06.
     10 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 3.27D-12 3.31D-07.
      7 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 6.34D-14 2.72D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.126926D+03
      2  0.107511D+01  0.102892D+03
      3  0.148434D+01  0.652113D+01  0.709480D+02
 Isotropic polarizability for W=    0.085645      100.26 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.839103D+02  0.946117D+01  0.297895D+01
      2  -0.319869D+02 -0.140757D+02 -0.152124D+02
      3  -0.519234D+02  0.461453D+01  0.122335D+02
      4  -0.189901D+02  0.742924D+02  0.324315D+02
      5   0.292682D+02  0.337366D+02 -0.947214D+01
      6   0.127244D+02  0.959618D+01 -0.158497D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.115019D+01  0.350985D+01  0.689463D+01
      2   0.595811D+01  0.132762D+02 -0.140534D+01
      3  -0.650298D+01 -0.400913D+02 -0.124939D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.130513D+01  0.248086D+02  0.204643D+02
      2  -0.262892D+02  0.197071D+02  0.424513D+02
      3  -0.284513D+02 -0.106279D+03 -0.210122D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.717398D+00 -0.255206D+01 -0.109629D+01
      2  -0.255206D+01 -0.189530D+01  0.239566D+01
      3  -0.109629D+01  0.239566D+01  0.809949D+00
 OR G Eigenvalues:    -3.9921    -0.3288     3.9530  Iso=     0.1227
 Eigenvectors:
   (1)   0.385697   0.857748  -0.339863
   (2)   0.692548  -0.025768   0.720912
   (3)   0.609603  -0.513425  -0.603970
 w=    0.085645 a.u., Optical Rotation Beta=      0.1227 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       47.62 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 6.31D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.31D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 3.74D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 4.93D-02 5.17D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 2.15D-03 8.41D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 3.24D-05 7.74D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 4.43D-07 8.23D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 4.80D-09 7.17D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 4.40D-11 9.38D-07.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 3.85D-13 1.02D-07.
     16 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 3.63D-15 7.96D-09.
      4 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 1.39D-15 5.86D-09.
      4 vectors produced by pass 10 Test12= 2.11D-14 2.78D-09 XBig12= 1.94D-15 6.32D-09.
      4 vectors produced by pass 11 Test12= 2.11D-14 2.78D-09 XBig12= 1.55D-15 6.40D-09.
      2 vectors produced by pass 12 Test12= 2.11D-14 2.78D-09 XBig12= 1.22D-15 4.61D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   270 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 6.46D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 6.46D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.26D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126926D+03  0.107511D+01  0.148434D+01
      2   0.107511D+01  0.102892D+03  0.652113D+01
      3   0.148434D+01  0.652113D+01  0.709480D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.115019D+01  0.350985D+01  0.689463D+01
      2   0.595811D+01  0.132762D+02 -0.140534D+01
      3  -0.650298D+01 -0.400913D+02 -0.124939D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.839103D+02  0.946117D+01  0.297895D+01
      2  -0.319869D+02 -0.140757D+02 -0.152124D+02
      3  -0.519234D+02  0.461453D+01  0.122335D+02
      4  -0.189901D+02  0.742924D+02  0.324315D+02
      5   0.292682D+02  0.337366D+02 -0.947214D+01
      6   0.127244D+02  0.959618D+01 -0.158497D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.669549D+01  0.603058D+00 -0.180350D+00  0.207247D+01 -0.210570D+01
      2   0.603058D+00  0.475792D+00  0.397836D+00 -0.210570D+01  0.346577D+01
      3  -0.180350D+00  0.397836D+00  0.186587D+00  0.114059D+01 -0.242326D+01
                 6             7             8             9            10 
      1   0.114059D+01 -0.203332D+00  0.840184D+00 -0.127772D+01  0.395468D+01
      2  -0.242326D+01  0.840184D+00 -0.716687D+00  0.132908D+01  0.126336D+01
      3   0.800676D+00 -0.127772D+01  0.132908D+01 -0.164228D+01 -0.870803D+00
                11            12            13            14            15 
      1   0.126336D+01 -0.870803D+00  0.366686D+01  0.353521D+01 -0.152545D+01
      2   0.119053D+01 -0.978613D+00  0.353521D+01  0.138782D+01  0.340427D+01
      3  -0.978613D+00  0.175689D+01 -0.152545D+01  0.340427D+01  0.364826D+01
                16            17            18            19            20 
      1  -0.423621D+01 -0.152694D+01  0.434831D+01 -0.107799D+02  0.182485D+01
      2  -0.152694D+01  0.181794D+01  0.368774D+01  0.182485D+01 -0.146996D+01
      3   0.434831D+01  0.368774D+01  0.407403D+00 -0.893605D+00  0.361158D+00
                21            22            23            24            25 
      1  -0.893605D+00  0.359183D+00 -0.790561D+00 -0.650555D-01  0.413929D+00
      2   0.361158D+00 -0.790561D+00  0.537578D+00  0.773240D-02 -0.116630D+00
      3  -0.114969D+01 -0.650555D-01  0.773240D-02  0.167572D+00 -0.736280D+00
                26            27            28            29            30 
      1  -0.116630D+00 -0.736280D+00 -0.830816D+00 -0.127617D+01 -0.125069D+01
      2   0.104520D+00  0.252069D+00 -0.127617D+01 -0.851749D+00 -0.403520D+00
      3   0.252069D+00 -0.366739D+00 -0.125069D+01 -0.403520D+00 -0.122259D+01
                31            32            33            34            35 
      1  -0.303813D+01 -0.169493D+01 -0.721515D+00 -0.187358D+01 -0.696295D+00
      2  -0.169493D+01 -0.393924D+01 -0.254765D+01 -0.696295D+00 -0.235740D+01
      3  -0.721515D+00 -0.254765D+01 -0.288777D+01 -0.193888D+01 -0.263978D+01
                36            37            38            39            40 
      1  -0.193888D+01  0.963614D+01  0.163283D+01  0.609406D+00  0.336763D-01
      2  -0.263978D+01  0.163283D+01 -0.208077D+01  0.803252D+00 -0.249976D+01
      3  -0.456305D+01  0.609406D+00  0.803252D+00 -0.210857D+01  0.161002D+01
                41            42            43            44            45 
      1  -0.249976D+01  0.161002D+01  0.536513D+01  0.201698D+01 -0.350490D+01
      2   0.220485D+01 -0.275894D+01  0.201698D+01 -0.188082D+01 -0.317616D+01
      3  -0.275894D+01 -0.309076D+01 -0.350490D+01 -0.317616D+01 -0.141483D+00
                46            47            48            49            50 
      1  -0.163799D+02 -0.252971D+01  0.192291D+00 -0.315828D+01  0.101667D+01
      2  -0.252971D+01 -0.282954D+01 -0.154501D-01  0.101667D+01  0.390211D-02
      3   0.192291D+00 -0.154501D-01 -0.170567D+01  0.128953D+01 -0.340933D+00
                51            52            53            54            55 
      1   0.128953D+01 -0.895581D+00  0.124621D+01 -0.359717D+01  0.106018D+00
      2  -0.340933D+00  0.124621D+01 -0.411323D+00 -0.699772D+00 -0.119229D+01
      3  -0.286865D+00 -0.359717D+01 -0.699772D+00 -0.908324D+00  0.298806D+00
                56            57            58            59            60 
      1  -0.119229D+01  0.298806D+00 -0.179893D+01  0.603261D+00 -0.109076D+00
      2   0.144426D+01 -0.641068D+00  0.603261D+00 -0.606665D+01  0.232922D+01
      3  -0.641068D+00  0.100547D+01 -0.109076D+00  0.232922D+01 -0.182511D+01
                61            62            63            64            65 
      1   0.943662D-01 -0.321464D+00  0.422468D+00 -0.140129D+02 -0.215840D+01
      2  -0.321464D+00  0.169679D+01 -0.133108D+01 -0.215840D+01 -0.130338D+01
      3   0.422468D+00 -0.133108D+01  0.165953D+01  0.107128D+01  0.320212D+00
                66            67            68            69            70 
      1   0.107128D+01 -0.156705D+01 -0.156248D+01  0.107881D-01 -0.128032D+01
      2   0.320212D+00 -0.156248D+01 -0.102491D+01  0.439265D+00 -0.284689D+00
      3  -0.143845D+01  0.107881D-01  0.439265D+00  0.159104D-01 -0.104199D+01
                71            72            73            74            75 
      1  -0.284689D+00 -0.104199D+01 -0.411605D+00  0.503374D+00  0.611134D+00
      2  -0.885098D-01  0.779060D-01  0.503374D+00  0.484154D+00 -0.105219D-01
      3   0.779060D-01 -0.115022D+00  0.611134D+00 -0.105219D-01  0.968561D+00
                76            77            78            79            80 
      1   0.142950D+01  0.185922D+00 -0.631785D+00  0.880390D+00 -0.214221D+00
      2   0.185922D+00  0.206818D+01  0.197113D+01 -0.214221D+00  0.176576D+01
      3  -0.631785D+00  0.197113D+01  0.318079D+01 -0.223082D+00  0.177879D+01
                81            82            83            84            85 
      1  -0.223082D+00  0.323727D+01 -0.764844D+00  0.106550D+00  0.750107D+01
      2   0.177879D+01 -0.764844D+00 -0.279296D+01 -0.672323D+00  0.312693D+00
      3   0.507985D+01  0.106550D+00 -0.672323D+00 -0.176186D+01  0.124481D+00
                86            87            88            89            90 
      1   0.312693D+00  0.124481D+00  0.279594D+01 -0.253836D+00 -0.177911D+01
      2   0.166681D+01 -0.777272D+00 -0.253836D+00 -0.173902D+01  0.301812D+01
      3  -0.777272D+00  0.160978D+01 -0.177911D+01  0.301812D+01  0.109964D+01
                91            92            93            94            95 
      1  -0.312710D+01 -0.303451D+00 -0.215721D+00  0.442474D+01 -0.597207D-02
      2  -0.303451D+00  0.233772D+01 -0.389909D+00 -0.597207D-02  0.986569D+00
      3  -0.215721D+00 -0.389909D+00  0.738315D+00 -0.405791D+00 -0.103592D+01
                96            97            98            99           100 
      1  -0.405791D+00  0.409421D+00 -0.905811D+00  0.179495D+01  0.471930D+01
      2  -0.103592D+01 -0.905811D+00 -0.132684D+01  0.315428D+01  0.362197D+00
      3   0.150195D+01  0.179495D+01  0.315428D+01  0.274802D+01 -0.659472D+00
               101           102           103           104           105 
      1   0.362197D+00 -0.659472D+00  0.108096D+01 -0.529878D-01 -0.126699D+01
      2   0.311021D+01  0.123450D+00 -0.529878D-01  0.427889D+00 -0.559055D+00
      3   0.123450D+00  0.248858D+01 -0.126699D+01 -0.559055D+00 -0.868774D-01
               106           107           108           109           110 
      1  -0.824463D-01 -0.129895D+01  0.489388D+01 -0.231623D+01 -0.584073D+00
      2  -0.129895D+01  0.172442D+00  0.335588D+00 -0.584073D+00  0.193559D+01
      3   0.489388D+01  0.335588D+00  0.914752D+00 -0.401474D+00  0.797489D+00
               111           112           113           114           115 
      1  -0.401474D+00 -0.494776D+01 -0.862511D+00 -0.102019D+01 -0.176191D+01
      2   0.797489D+00 -0.862511D+00 -0.110619D+01  0.123280D+01 -0.636793D+00
      3   0.173727D+01 -0.102019D+01  0.123280D+01 -0.152524D+01  0.261212D+01
               116           117           118           119           120 
      1  -0.636793D+00  0.261212D+01  0.424237D+01  0.228368D+01  0.583387D+00
      2   0.190674D+01 -0.275376D+01  0.228368D+01 -0.205712D+01 -0.282686D-01
      3  -0.275376D+01 -0.121272D+01  0.583387D+00 -0.282686D-01 -0.973024D+00
               121           122           123           124           125 
      1  -0.636035D+01 -0.775923D+00  0.380382D+00 -0.394893D+00  0.107954D+01
      2  -0.775923D+00 -0.158538D+01  0.120388D+01  0.107954D+01  0.110221D+01
      3   0.380382D+00  0.120388D+01 -0.122573D+01 -0.603225D+00 -0.286971D+01
               126           127           128           129           130 
      1  -0.603225D+00 -0.324089D+01  0.224049D+01  0.198191D+00  0.230744D+01
      2  -0.286971D+01  0.224049D+01 -0.275592D+01 -0.249302D+00 -0.279931D+01
      3  -0.299902D+01  0.198191D+00 -0.249302D+00 -0.450054D+00 -0.485063D+00
               131           132           133           134           135 
      1  -0.279931D+01 -0.485063D+00  0.793140D-01 -0.391829D+00 -0.104078D+00
      2   0.619547D+01  0.869380D+00 -0.391829D+00  0.120220D+01  0.322508D+00
      3   0.869380D+00  0.955796D+00 -0.104078D+00  0.322508D+00  0.199742D+00
               136           137           138           139           140 
      1   0.246543D+01  0.270280D+01  0.797495D+00  0.234800D+01  0.370405D+01
      2   0.270280D+01  0.287197D+01  0.770574D+00  0.370405D+01  0.892256D+01
      3   0.797495D+00  0.770574D+00  0.626132D+00  0.954384D+00  0.210058D+01
               141           142           143           144           145 
      1   0.954384D+00  0.758402D+00  0.115499D+01  0.388403D+00  0.132611D+02
      2   0.210058D+01  0.115499D+01  0.238962D+01  0.768933D+00  0.926400D+00
      3   0.146941D+01  0.388403D+00  0.768933D+00  0.519535D+00  0.122718D+01
               146           147           148           149           150 
      1   0.926400D+00  0.122718D+01  0.745763D+00  0.160758D+01  0.428560D+00
      2   0.861789D+00  0.327125D-01  0.160758D+01  0.352934D+00  0.179952D+00
      3   0.327125D-01  0.113770D+01  0.428560D+00  0.179952D+00  0.140892D+00
               151           152           153           154           155 
      1   0.133856D+01  0.440687D+00  0.315994D+00  0.456795D+01 -0.368546D+01
      2   0.440687D+00  0.120175D+00  0.277288D-01 -0.368546D+01  0.349545D+01
      3   0.315994D+00  0.277288D-01  0.224574D+00 -0.627307D+00  0.461885D+00
               156           157           158           159           160 
      1  -0.627307D+00 -0.352682D+01  0.432600D+01  0.907375D+00 -0.615161D+00
      2   0.461885D+00  0.432600D+01 -0.678629D+01 -0.117803D+01  0.751225D+00
      3   0.673047D+00  0.907375D+00 -0.117803D+01 -0.105495D+01  0.261220D+00
               161           162           163           164           165 
      1   0.751225D+00  0.261220D+00 -0.178632D+01 -0.184864D+01 -0.596297D+00
      2  -0.143924D+01 -0.452970D+00 -0.184864D+01 -0.206606D+01 -0.679593D+00
      3  -0.452970D+00 -0.287078D+00 -0.596297D+00 -0.679593D+00 -0.508620D+00
               166           167           168           169           170 
      1  -0.157235D+01 -0.214125D+01 -0.615207D+00 -0.792014D+00 -0.882354D+00
      2  -0.214125D+01 -0.771168D+01 -0.211715D+01 -0.882354D+00 -0.231856D+01
      3  -0.615207D+00 -0.211715D+01 -0.150774D+01 -0.230893D+00 -0.829520D+00
               171 
      1  -0.230893D+00
      2  -0.829520D+00
      3  -0.617337D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.343454D+00  0.705026D+00  0.965110D+00  0.998029D-01 -0.372507D+01
      2   0.568083D+01 -0.653784D+00  0.192609D+01  0.448201D+00  0.329080D+01
      3   0.136317D+02 -0.439736D+01  0.134136D+01  0.195433D+01  0.108674D+02
                 6             7             8             9            10 
      1  -0.423843D+01 -0.207873D+01  0.366601D+01  0.498622D+00 -0.134919D+01
      2  -0.293141D+01 -0.280647D+01 -0.960244D+00  0.315602D+01  0.242666D+01
      3  -0.510347D+01  0.402879D+00 -0.197031D+01  0.320183D+01  0.185698D+01
                11            12            13            14            15 
      1  -0.457492D+00 -0.184774D-01  0.767352D+00  0.240765D+01  0.887702D+00
      2   0.142521D+01 -0.161682D+01  0.264006D+01 -0.568543D+01 -0.585462D+01
      3   0.614386D+00 -0.113410D+00  0.116427D+02 -0.213103D+01  0.774039D+01
                16            17            18            19            20 
      1   0.448697D+01  0.489067D+01 -0.147109D+01 -0.596925D+00  0.760644D+00
      2  -0.149116D+02 -0.866086D+01 -0.436580D+00 -0.594987D+01  0.319126D+00
      3  -0.876035D+00  0.656100D+01  0.566030D+01 -0.833621D+01 -0.351152D+01
                21            22            23            24            25 
      1   0.693377D+00  0.405693D+00 -0.949076D-01 -0.526820D+00  0.519371D+00
      2   0.413052D+01 -0.790755D-01 -0.806259D+00  0.202633D-01  0.127253D+01
      3   0.167394D+00 -0.112839D+01  0.249720D+00  0.391339D+00  0.316865D+00
                26            27            28            29            30 
      1   0.129020D+00 -0.322636D+00 -0.727474D+00  0.105832D+00 -0.995312D+00
      2  -0.405460D+00  0.607278D-01  0.167701D+01  0.270408D+00  0.233759D+01
      3   0.400086D+00 -0.261533D+00 -0.299442D+01 -0.240964D+01 -0.926623D-01
                31            32            33            34            35 
      1  -0.171724D+00  0.144050D+01 -0.237009D+01 -0.126061D+01  0.112329D+01
      2  -0.592866D+00  0.442012D+01  0.540295D+01  0.353138D+00  0.415271D+01
      3   0.475048D+00 -0.757242D+01 -0.530068D+01  0.663313D+00 -0.492015D+01
                36            37            38            39            40 
      1  -0.247967D+01  0.342236D+01 -0.314883D+01 -0.150824D+01  0.118997D-01
      2   0.739776D+01 -0.127074D+02 -0.443594D+01  0.837202D+01 -0.600194D+01
      3  -0.456506D+01 -0.352469D+01 -0.108810D+02  0.942286D+00 -0.435029D+01
                41            42            43            44            45 
      1   0.191460D+01 -0.102660D+02 -0.164292D+01 -0.473260D+01 -0.307794D+01
      2   0.992882D+01  0.636154D+01  0.514359D+01  0.712320D+01  0.377619D+01
      3   0.102984D+02 -0.104345D+02  0.148863D+01 -0.945671D+01 -0.567860D+01
                46            47            48            49            50 
      1  -0.378501D+00 -0.141137D+00 -0.205572D+00 -0.231349D+01 -0.339435D+01
      2  -0.272149D+01 -0.128835D+01 -0.139421D+01 -0.133589D+01  0.721788D+00
      3  -0.316117D+01  0.553682D+01  0.904130D+00  0.147291D+02  0.151551D+01
                51            52            53            54            55 
      1   0.121011D+01 -0.577665D-01  0.871087D+01  0.241521D+01 -0.158778D+01
      2   0.746828D+00 -0.125105D+02  0.127042D+00  0.101497D+01 -0.217610D+01
      3  -0.139674D+01  0.324618D+00  0.111076D+01  0.332769D-02 -0.502733D+01
                56            57            58            59            60 
      1   0.195813D+01  0.101512D+01  0.134208D+01 -0.579314D+01 -0.785754D+00
      2   0.257813D+01 -0.193068D+01  0.305145D+01 -0.710626D+01  0.427264D+01
      3   0.494413D+01 -0.156403D+01  0.660386D+01 -0.160974D+02  0.609920D+01
                61            62            63            64            65 
      1   0.425902D+00  0.216824D+01  0.284415D+00 -0.760728D+00 -0.141825D+01
      2  -0.249852D+01  0.343017D+01 -0.398816D+01  0.101946D+02  0.959493D+00
      3  -0.845811D+00  0.454275D+01 -0.399209D+01  0.626259D+01 -0.518176D+01
                66            67            68            69            70 
      1  -0.149530D+01 -0.145120D+01 -0.637891D+00 -0.202409D+00 -0.122373D+01
      2   0.634766D+01  0.162586D+01 -0.129660D+00  0.280442D+00  0.198399D+01
      3   0.233726D+00 -0.166623D+01 -0.207234D+01  0.134668D+01 -0.942295D-01
                71            72            73            74            75 
      1   0.101076D+01 -0.669145D-01  0.156832D+01  0.143228D+01  0.583502D+00
      2  -0.275849D+00  0.106092D+01 -0.216644D+01 -0.940751D+00 -0.238768D+01
      3   0.622032D+00  0.146871D+01  0.210188D+01  0.995474D+00 -0.182324D+00
                76            77            78            79            80 
      1   0.534011D+00  0.552305D+01  0.376687D+01 -0.198546D+00  0.596767D+01
      2  -0.138314D+01 -0.579202D+01 -0.769783D+01 -0.275149D+01 -0.488643D+01
      3   0.171614D+01  0.563923D+01  0.565916D+01 -0.602643D+00  0.500969D+01
                81            82            83            84            85 
      1   0.645204D+01 -0.554116D+00  0.217362D+00  0.236412D+01 -0.755076D+00
      2  -0.123844D+02  0.212606D+01  0.514494D+00 -0.117080D+01  0.355615D+01
      3   0.526066D+01  0.302557D+01 -0.117915D+01  0.989109D+00  0.518064D+01
                86            87            88            89            90 
      1   0.162650D+00 -0.242950D+01  0.610931D+01  0.367629D+01  0.276777D+00
      2   0.758915D+00  0.985488D+00 -0.116074D+02  0.229514D+00 -0.841261D+00
      3  -0.589299D+01  0.103018D+01 -0.130063D+00 -0.858642D+00 -0.526774D+01
                91            92            93            94            95 
      1   0.689583D+00  0.832906D+00 -0.132494D+01  0.134483D+01 -0.102444D+00
      2  -0.301583D+00  0.238507D+01  0.861185D+00  0.137217D+01 -0.306866D+01
      3  -0.766401D+00 -0.107025D+02 -0.242194D+01  0.452175D+01 -0.131231D+01
                96            97            98            99           100 
      1  -0.240473D+01 -0.466616D+01  0.116719D+01 -0.135459D+01  0.216396D+00
      2   0.383915D+01 -0.754915D+01  0.745026D+01  0.521139D+01  0.164609D-02
      3   0.193086D+01 -0.399292D+00  0.304466D+01 -0.390178D+01 -0.100582D+01
               101           102           103           104           105 
      1  -0.846575D+00 -0.858509D+00 -0.106438D+01 -0.306318D+01  0.133026D+01
      2  -0.294604D+00  0.665913D+01 -0.455322D+01 -0.412246D-01  0.383062D+00
      3  -0.676354D+01  0.354784D-01  0.103286D+02  0.496762D+00  0.144756D+01
               106           107           108           109           110 
      1  -0.164322D+01  0.104979D+02  0.286644D+01 -0.747855D+00 -0.549997D+00
      2   0.635065D+01  0.180960D+01  0.144393D+01 -0.987869D+00  0.221796D+01
      3   0.444969D+01  0.102281D+01  0.189772D-01  0.148046D+01 -0.108055D+02
               111           112           113           114           115 
      1   0.214388D+01 -0.153079D+01  0.703593D-01 -0.196614D+01  0.616507D+01
      2   0.273392D+01 -0.120550D+01  0.340979D+01 -0.448626D+01 -0.433057D+01
      3  -0.209564D+01  0.623692D+01  0.318235D+00 -0.224187D+01 -0.311087D+00
               116           117           118           119           120 
      1   0.296110D+01  0.159672D+01 -0.569484D-01  0.138046D+01 -0.163028D+01
      2  -0.907280D+01 -0.307042D+01  0.375344D+01  0.208711D+01 -0.527808D+00
      3  -0.412499D+01  0.363917D+01 -0.225339D+01 -0.310170D+01 -0.258681D+01
               121           122           123           124           125 
      1   0.125338D+01  0.435206D+00 -0.248472D+01 -0.467615D+01  0.221550D+01
      2   0.169633D+01 -0.752395D+00 -0.121003D+01 -0.127098D+02 -0.851372D+00
      3   0.258311D+01  0.631450D+01 -0.266762D-01 -0.339249D+01 -0.122773D+01
               126           127           128           129           130 
      1  -0.601669D+00  0.390705D+00 -0.825480D+00  0.196165D+01  0.218789D+00
      2  -0.388028D+01  0.164176D+01 -0.830776D+00  0.347916D+00 -0.653613D+00
      3   0.443887D+01 -0.874828D+01  0.368273D+01  0.209261D+00  0.652798D+01
               131           132           133           134           135 
      1  -0.757967D-01 -0.320837D+01 -0.219984D+00  0.162732D+01  0.832452D-02
      2   0.118500D+01 -0.764570D+00 -0.155106D+01  0.660227D+00 -0.292933D+00
      3  -0.545966D+01 -0.121697D+01 -0.274076D+00 -0.674590D+00 -0.236602D+00
               136           137           138           139           140 
      1  -0.221374D+00  0.521225D-01 -0.178780D+01 -0.205394D+00  0.555334D+00
      2   0.398534D+00  0.647013D+00  0.179638D+01  0.625196D+00  0.310821D+01
      3  -0.761876D+00 -0.232808D+01 -0.441467D+00 -0.142998D+01 -0.129085D+02
               141           142           143           144           145 
      1  -0.421885D+01  0.580020D+00  0.192406D+01 -0.700863D+00 -0.114275D+00
      2   0.364632D+01 -0.373614D+00  0.403807D+00  0.106975D+01  0.166894D+01
      3  -0.275875D+01 -0.684425D+00 -0.357029D+01 -0.871896D+00 -0.283489D+00
               146           147           148           149           150 
      1   0.454422D+00 -0.464234D+00  0.115366D+00 -0.301265D-01 -0.339964D+00
      2  -0.130155D+00  0.644889D+01  0.170634D+01  0.414549D+00  0.753015D+00
      3  -0.525491D+01  0.218132D+00 -0.380913D+01 -0.861244D+00 -0.436727D+00
               151           152           153           154           155 
      1   0.247849D+00  0.648563D+00  0.276415D-01  0.292610D+00 -0.787209D+00
      2  -0.222454D+01 -0.426505D-01  0.604211D+00  0.150925D+00 -0.230795D+00
      3  -0.137257D+01 -0.777240D+00 -0.199591D+00  0.152728D+01 -0.456326D+01
               156           157           158           159           160 
      1   0.213282D+01  0.296106D+00  0.265337D+00 -0.338265D+01 -0.842140D+00
      2   0.262116D+01  0.842175D+00 -0.154155D+01 -0.356773D+01 -0.552437D+00
      3  -0.164733D+00 -0.325701D+01  0.111139D+02  0.148322D+01 -0.119629D+01
               161           162           163           164           165 
      1   0.145181D+01 -0.371260D+00  0.171732D+00  0.275786D+00 -0.157091D+01
      2   0.174072D+00 -0.494044D+00 -0.196476D+01 -0.133693D+01 -0.789432D-01
      3   0.266198D+01  0.629811D+00  0.643202D+01  0.385946D+01  0.136367D+01
               166           167           168           169           170 
      1   0.357838D+00  0.880266D+00 -0.384605D+01  0.520020D+00  0.234326D+01
      2  -0.175869D+01 -0.231452D+01 -0.179246D+00 -0.221068D+01 -0.946978D+00
      3   0.662482D+01  0.803624D+01  0.253154D+01  0.253301D+01  0.260487D+01
               171 
      1  -0.721098D+00
      2  -0.151538D+00
      3   0.653219D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.323162D+02  0.152501D+01  0.640715D+00 -0.809448D+01 -0.471162D+01
      2   0.179201D+02 -0.283915D+01 -0.158497D+01  0.182667D+01  0.124362D+02
      3   0.143961D+02  0.131414D+01  0.944257D+00  0.626781D+01 -0.772458D+01
      4   0.450182D+01  0.557063D+01 -0.182959D+01  0.186921D+02 -0.215202D+02
      5  -0.490696D+01 -0.183405D+01  0.628599D+01 -0.904400D+01  0.111773D+02
      6  -0.202110D+01  0.832298D-01 -0.226208D+01  0.420501D+01 -0.636905D+01
                 6             7             8             9            10 
      1   0.567337D+00  0.172229D+01  0.249811D+01 -0.332991D+01  0.101613D+02
      2   0.102423D+01 -0.156749D+01 -0.156699D+01 -0.478760D+01 -0.346450D+01
      3  -0.159157D+01 -0.154808D+00 -0.931117D+00  0.811751D+01 -0.669676D+01
      4   0.116192D+02 -0.634047D+01  0.485315D+01 -0.639455D+01 -0.306421D+01
      5  -0.651782D+01  0.119549D+02 -0.681921D+01  0.925518D+01  0.490678D+01
      6   0.115688D+02 -0.183989D+01  0.754018D+01 -0.589661D+01  0.155999D+01
                11            12            13            14            15 
      1   0.139898D+01 -0.751448D+00  0.439299D+01 -0.122220D+01  0.627286D+01
      2   0.118823D+01 -0.742893D+00  0.933868D+00  0.388214D+00 -0.850714D+01
      3  -0.258721D+01  0.149434D+01 -0.532686D+01  0.833989D+00  0.223428D+01
      4  -0.106882D+02  0.359884D+01 -0.214700D+02 -0.397063D+01 -0.159370D+02
      5   0.402970D+01 -0.134603D+02  0.104364D+02 -0.152254D+02 -0.137798D+02
      6   0.882458D-01 -0.160340D+01 -0.417968D+01 -0.546555D+01 -0.139817D+02
                16            17            18            19            20 
      1   0.965000D+01  0.659248D+01 -0.154458D+01  0.590301D+02 -0.852434D+01
      2  -0.808744D+01 -0.288063D+01  0.434217D+01 -0.308401D+02  0.338660D+01
      3  -0.156256D+01 -0.371184D+01 -0.279759D+01 -0.281900D+02  0.513774D+01
      4   0.110123D+02 -0.919697D+01 -0.187397D+02 -0.210792D+02  0.102538D+02
      5  -0.245457D+02 -0.172508D+02 -0.109278D+01  0.133126D+02 -0.290006D+01
      6  -0.101912D+02 -0.104474D+02 -0.163040D+01 -0.180219D+01  0.135344D+01
                21            22            23            24            25 
      1   0.367905D+01  0.831417D+00  0.328986D+01  0.303673D+00 -0.129054D+01
      2  -0.293229D+01 -0.173250D+01 -0.642643D+00 -0.140619D+00  0.657408D-01
      3  -0.746758D+00  0.901079D+00 -0.264722D+01 -0.163054D+00  0.122480D+01
      4  -0.244890D+01  0.678397D+01 -0.313237D+01  0.169108D+00  0.112794D+01
      5   0.754663D+01  0.471076D+00  0.629466D+00 -0.538061D+00  0.595131D+01
      6  -0.164081D+01  0.121033D+01 -0.134769D+00  0.143179D+01 -0.116958D+01
                26            27            28            29            30 
      1   0.706710D+00  0.303965D+01  0.251782D+01  0.239644D+01  0.324882D+01
      2   0.204084D+00 -0.239832D+01 -0.169902D+01 -0.121565D+01 -0.196159D+01
      3  -0.910794D+00 -0.641330D+00 -0.818791D+00 -0.118079D+01 -0.128723D+01
      4  -0.427495D+00 -0.156948D+01  0.760897D+01  0.818398D+01  0.381044D+01
      5  -0.135371D+01  0.214008D+01  0.712946D+01  0.374917D+01  0.950537D+01
      6   0.889225D+00 -0.286063D+00  0.488313D+01  0.185890D+01  0.259079D+01
                31            32            33            34            35 
      1   0.214067D+01 -0.688388D+01 -0.569854D+01  0.157828D+01 -0.573872D+01
      2  -0.736797D+00  0.705737D+01  0.350477D+01 -0.227409D+01  0.122533D+01
      3  -0.140387D+01 -0.173483D+00  0.219377D+01  0.695817D+00  0.451339D+01
      4   0.108332D+02  0.181918D+02  0.115028D+02  0.497117D+01  0.108743D+02
      5   0.506909D+01  0.109810D+02  0.124761D+02  0.126108D+02  0.113521D+02
      6   0.406461D+01  0.126577D+02  0.121191D+02  0.522705D+01  0.115438D+02
                36            37            38            39            40 
      1  -0.818711D+01 -0.594467D+02 -0.160658D+02  0.517603D+01 -0.140181D+02
      2  -0.359191D+01  0.243812D+02  0.119283D+02  0.677037D+00  0.804996D+01
      3   0.117790D+02  0.350654D+02  0.413751D+01 -0.585306D+01  0.596815D+01
      4   0.121186D+02 -0.204216D+02  0.770649D+01 -0.261863D+01  0.102037D+02
      5   0.189508D+02  0.799212D+01 -0.104008D+00  0.104361D+02 -0.536296D+01
      6   0.135897D+02  0.137458D+01 -0.694963D+01  0.396784D+01 -0.553315D+01
                41            42            43            44            45 
      1   0.213391D+02 -0.226899D+01 -0.497291D+01 -0.324180D+01  0.110051D+02
      2  -0.133485D+02  0.147553D+02  0.761788D+01  0.124227D+02 -0.346406D+01
      3  -0.799062D+01 -0.124863D+02 -0.264497D+01 -0.918093D+01 -0.754100D+01
      4  -0.531731D+01  0.114795D+02 -0.114056D+02  0.821638D+01  0.185357D+02
      5   0.706074D+01  0.147680D+02  0.211347D+02  0.164542D+02 -0.388793D+01
      6   0.716144D+01 -0.460370D+01  0.886608D+01 -0.131207D+01 -0.923595D+01
                46            47            48            49            50 
      1  -0.179625D+02 -0.881295D+00 -0.154650D+01  0.407876D+01 -0.997499D+01
      2   0.575654D+01 -0.346188D-01 -0.229227D+00 -0.490325D+01  0.132086D+02
      3   0.122060D+02  0.915914D+00  0.177573D+01  0.824485D+00 -0.323361D+01
      4   0.899741D+01  0.401478D+01 -0.194095D-01 -0.109281D+02 -0.378578D+01
      5  -0.655917D+01 -0.723366D+00  0.135270D+00 -0.474611D+01  0.594038D+00
      6  -0.295398D+01  0.733687D+00  0.808654D+00 -0.330646D+01  0.527140D+01
                51            52            53            54            55 
      1  -0.106304D+01 -0.759680D+01 -0.269587D+01 -0.947765D+01 -0.140769D+01
      2   0.638016D+01  0.648302D+00  0.382791D+01 -0.240498D+01  0.328712D+01
      3  -0.531712D+01  0.694849D+01 -0.113204D+01  0.118826D+02 -0.187943D+01
      4   0.149359D+00 -0.621510D+01 -0.125130D+00  0.230137D+01  0.235722D+01
      5   0.120960D+01  0.392698D+01  0.187496D+01 -0.237548D-01  0.559911D+00
      6  -0.830675D+00 -0.296089D+00  0.608724D+01 -0.324637D+01 -0.336453D+01
                56            57            58            59            60 
      1   0.102279D+02 -0.513129D+01  0.998772D+01 -0.236085D+02  0.947033D+01
      2  -0.853860D+01  0.161568D+01 -0.671752D+01  0.267846D+02 -0.658089D+01
      3  -0.168930D+01  0.351561D+01 -0.327020D+01 -0.317607D+01 -0.288944D+01
      4  -0.152313D+01  0.693075D+00  0.318600D+01  0.222880D+02 -0.888775D+01
      5  -0.106138D+01 -0.166226D+01 -0.381626D+01 -0.612343D+01  0.586221D+01
      6   0.509003D+01 -0.393261D+01  0.170888D+01 -0.187851D+02  0.118234D+02
                61            62            63            64            65 
      1  -0.191235D+01  0.768181D+01 -0.980737D+01  0.864958D+02  0.104902D+02
      2   0.302112D+00 -0.436847D+01  0.352588D+01 -0.420769D+02 -0.312090D+01
      3   0.161023D+01 -0.331334D+01  0.628149D+01 -0.444190D+02 -0.736925D+01
      4   0.540229D+00 -0.611343D+01  0.373447D+01  0.282678D+02  0.146790D+02
      5   0.569922D+00  0.364239D+01 -0.453559D+01 -0.224664D+02 -0.405301D+01
      6  -0.189434D+01  0.106155D+02 -0.712630D+01 -0.357486D+01 -0.267935D+01
                66            67            68            69            70 
      1  -0.250409D+01  0.687152D+01  0.626849D+01  0.302934D+00  0.637441D+01
      2   0.409846D+01 -0.808723D+00 -0.113555D+01 -0.111375D+01 -0.678335D+00
      3  -0.159437D+01 -0.606280D+01 -0.513294D+01  0.810817D+00 -0.569608D+01
      4  -0.248306D+01  0.153160D+02  0.799246D+01 -0.221126D+01  0.222396D+01
      5   0.130054D+02 -0.187690D+01 -0.332798D+01  0.585239D+00  0.100831D+02
      6   0.310754D+01 -0.233880D+01 -0.218928D+01  0.237757D+01  0.250030D+01
                71            72            73            74            75 
      1   0.682893D+00  0.663490D+01  0.322866D+01 -0.135497D+01 -0.614887D+01
      2  -0.632297D+00 -0.461333D+01 -0.362658D+01  0.384925D-01  0.669213D+00
      3  -0.505962D-01 -0.202157D+01  0.397922D+00  0.131648D+01  0.547966D+01
      4   0.592603D+00  0.120244D+01 -0.931236D+00 -0.131652D+01  0.460134D-01
      5   0.224397D+00 -0.756398D+00 -0.278539D+01  0.169806D+01  0.290499D+00
      6   0.165091D+01  0.565014D+00  0.167347D+01  0.183396D+01 -0.360991D+00
                76            77            78            79            80 
      1  -0.440979D+01 -0.698017D+01 -0.528170D+01 -0.460215D+01 -0.384840D+01
      2   0.303009D+01 -0.539843D+00 -0.735241D+01  0.326057D+01 -0.604238D+01
      3   0.137971D+01  0.752001D+01  0.126341D+02  0.134158D+01  0.989079D+01
      4   0.249690D+00 -0.107413D+02 -0.960374D+01  0.674116D+00 -0.874361D+01
      5   0.612983D+01 -0.767364D+01 -0.138781D+02  0.568888D+01 -0.748463D+01
      6   0.432139D+00  0.722245D+01  0.706208D+01 -0.353868D+00  0.655281D+01
                81            82            83            84            85 
      1  -0.139998D+02  0.898241D+00  0.166212D+02  0.510229D+01 -0.540547D+01
      2  -0.124729D+02 -0.277543D+01 -0.121530D+02 -0.113125D+01  0.125048D+02
      3   0.264727D+02  0.187719D+01 -0.446821D+01 -0.397103D+01 -0.709937D+01
      4  -0.957071D+01  0.107032D+02 -0.101532D+02 -0.206530D+00  0.359133D+01
      5  -0.204970D+02  0.387857D+01 -0.885394D+00 -0.171960D+01  0.295296D+01
      6   0.497616D+01  0.276487D+01 -0.286073D+01 -0.421745D+01  0.789270D+01
                86            87            88            89            90 
      1   0.320358D+01  0.413303D+01 -0.590001D+00  0.717551D+01 -0.130360D+02
      2  -0.574069D+01 -0.351710D+01  0.537273D+01 -0.905129D+01  0.137857D+01
      3   0.253711D+01 -0.615934D+00 -0.478273D+01  0.187577D+01  0.116574D+02
      4   0.145800D+02  0.268486D+01  0.308334D+01  0.589263D+00  0.355516D+01
      5   0.262221D+01  0.106456D+01  0.442343D+01  0.265417D+01 -0.184247D+01
      6  -0.572199D+01  0.475066D+01 -0.228843D+01  0.116064D+02 -0.275587D+00
                91            92            93            94            95 
      1   0.793015D+01 -0.218345D+02 -0.308088D+01  0.204753D+02  0.121205D+02
      2  -0.681934D+01  0.149605D+02  0.126969D+01 -0.179720D+02 -0.144159D+02
      3  -0.111081D+01  0.687405D+01  0.181119D+01 -0.250332D+01  0.229541D+01
      4  -0.142593D+02 -0.686145D+01 -0.502570D+01  0.878436D+01 -0.399255D+01
      5  -0.628629D+01 -0.347548D+01 -0.112795D+01  0.224610D+00 -0.709626D+01
      6  -0.572001D+01 -0.122900D+01  0.288130D+01 -0.516488D+01 -0.113606D+02
                96            97            98            99           100 
      1   0.400671D+01  0.394216D+01 -0.365860D+00 -0.515819D+01 -0.150826D+02
      2  -0.649969D+01 -0.743413D+01 -0.830040D+01 -0.583438D+01  0.988559D+01
      3   0.249298D+01  0.349197D+01  0.866626D+01  0.109926D+02  0.519701D+01
      4  -0.635249D+01 -0.466432D+01 -0.110608D+02  0.112834D+02 -0.229718D+01
      5   0.776027D+01  0.112525D+02  0.119838D+02  0.991363D+01 -0.619128D+01
      6   0.283624D+01  0.501433D+01  0.117538D+02  0.313399D+01  0.130670D+01
               101           102           103           104           105 
      1  -0.205355D+01 -0.649769D+01  0.781175D+01 -0.215871D+02 -0.849922D+01
      2   0.157266D+01  0.337522D+01 -0.561756D+01  0.180418D+02  0.101395D+02
      3   0.480894D+00  0.312247D+01 -0.219419D+01  0.354528D+01 -0.164032D+01
      4   0.211872D+02  0.101394D+01 -0.185881D+02 -0.508164D+01 -0.447432D+01
      5   0.756749D+00  0.146173D+02 -0.130240D+02 -0.179578D+01  0.152107D+00
      6   0.683969D+00  0.178966D+01 -0.363435D+01  0.425712D+01 -0.186776D+01
               106           107           108           109           110 
      1  -0.591898D+01 -0.937528D+01  0.117024D+02  0.703922D+00  0.228318D+02
      2   0.914820D+00  0.731281D+01 -0.150985D+02 -0.390160D+01 -0.143859D+02
      3   0.500416D+01  0.206246D+01  0.339610D+01  0.319768D+01 -0.844591D+01
      4  -0.137420D+02 -0.944145D+00  0.795979D+00  0.191724D+02  0.197999D+01
      5   0.315101D+02  0.235696D+01  0.424005D+01  0.557678D+00  0.138201D+01
      6   0.676787D+00  0.534118D+01 -0.424689D+01  0.138667D+01 -0.269812D+01
               111           112           113           114           115 
      1   0.624560D+01 -0.234585D+02  0.561876D+01  0.118441D+01 -0.871724D+01
      2  -0.831122D+00  0.219465D+02 -0.901014D+01 -0.139544D+01  0.106819D+02
      3  -0.541447D+01  0.151198D+01  0.339138D+01  0.211031D+00 -0.196466D+01
      4   0.320758D+01  0.364047D+01  0.111398D+02  0.998885D+01 -0.342843D+00
      5   0.553258D+01 -0.528501D+01  0.838798D+01 -0.826439D+01  0.172045D+02
      6  -0.495524D+01  0.767525D+01 -0.675699D+01  0.393288D+01 -0.568622D+01
               116           117           118           119           120 
      1   0.584199D+01  0.186408D+01  0.911743D+01 -0.125228D+02 -0.876569D+00
      2  -0.935596D+01 -0.779453D+01 -0.692200D+01  0.105313D+02 -0.424083D-01
      3   0.351398D+01  0.593045D+01 -0.219543D+01  0.199147D+01  0.918977D+00
      4   0.101997D+02 -0.122226D+02 -0.119328D+02 -0.173381D+02 -0.424581D+01
      5  -0.129949D+02 -0.748043D+01  0.395766D+00 -0.305760D+01 -0.406327D+01
      6   0.108132D+02 -0.162356D+01 -0.298759D+01 -0.126065D+01  0.298919D+01
               121           122           123           124           125 
      1   0.109295D+01  0.959932D+01  0.633339D+01  0.324907D+01  0.412402D+01
      2  -0.817882D+01 -0.116456D+02 -0.764351D+01 -0.551972D+01 -0.103494D+02
      3   0.708587D+01  0.204632D+01  0.131012D+01  0.227065D+01  0.622538D+01
      4   0.120070D+02 -0.119292D+02 -0.156516D+01 -0.220666D+00 -0.397906D+01
      5  -0.365387D+00 -0.223124D+01 -0.114159D+01  0.158111D+01 -0.482507D+01
      6  -0.572299D+01 -0.112517D+02  0.207549D+01  0.147421D+01  0.106522D+02
               126           127           128           129           130 
      1  -0.138541D+02 -0.480194D+01  0.781948D+01  0.966573D+00  0.842069D+01
      2  -0.154687D+01  0.678683D+01 -0.107306D+02 -0.762726D+00 -0.112123D+02
      3   0.154010D+02 -0.198490D+01  0.291116D+01 -0.203847D+00  0.279158D+01
      4  -0.647144D+01 -0.842940D+01  0.811420D+01  0.110663D+01  0.774318D+01
      5  -0.680663D+01 -0.681577D+00  0.120125D+01  0.118991D+01  0.124339D+01
      6   0.452635D+01  0.882843D+00 -0.110151D+01 -0.257565D+01 -0.222681D+01
               131           132           133           134           135 
      1  -0.217207D+02 -0.355671D+01  0.155017D+01 -0.412103D+01 -0.116362D+01
      2   0.291650D+02  0.290011D+01 -0.203728D+01  0.476997D+01  0.191643D+01
      3  -0.744427D+01  0.656599D+00  0.487110D+00 -0.648945D+00 -0.752810D+00
      4  -0.810850D+01 -0.901258D+00  0.105357D+01 -0.105818D+01 -0.192129D+01
      5  -0.129320D+01 -0.113573D+01  0.127339D+01 -0.886638D+00 -0.783615D+00
      6   0.474485D+01  0.547863D+01 -0.132934D+01  0.274510D+01  0.156011D+01
               136           137           138           139           140 
      1   0.632228D+01  0.530438D+01  0.129382D+01 -0.378700D+00 -0.139475D+02
      2   0.254695D+01  0.437751D+01  0.370333D-01  0.103316D+02  0.339599D+02
      3  -0.886923D+01 -0.968189D+01 -0.133086D+01 -0.995290D+01 -0.200124D+02
      4   0.195898D+02  0.232312D+02  0.578049D+01  0.241507D+02  0.454078D+02
      5   0.532149D+01  0.578475D+01  0.524180D+01  0.589039D+01  0.101150D+02
      6   0.382129D+01  0.429837D+01  0.342768D+01  0.576006D+01  0.134234D+02
               141           142           143           144           145 
      1  -0.357216D+01  0.390718D+00 -0.291381D+01 -0.227012D+01  0.999190D+02
      2   0.516314D+01  0.191384D+01  0.686423D+01  0.320323D+01 -0.567770D+02
      3  -0.159098D+01 -0.230456D+01 -0.395042D+01 -0.933105D+00 -0.431420D+02
      4   0.102983D+02  0.700512D+01  0.124069D+02  0.514608D+01  0.936047D+01
      5   0.715217D+01  0.288389D+01  0.445185D+01  0.335129D+01  0.120616D+02
      6   0.955480D+01  0.282018D+01  0.643185D+01  0.436645D+01 -0.247138D+01
               146           147           148           149           150 
      1   0.664123D+01  0.772094D+01  0.455267D+01  0.945359D+01  0.166177D+01
      2  -0.328958D+01 -0.538426D+01 -0.197966D+01 -0.442012D+01 -0.138415D+01
      3  -0.335165D+01 -0.233668D+01 -0.257301D+01 -0.503347D+01 -0.277624D+00
      4   0.911716D+01  0.261977D+00  0.149578D+02  0.295114D+01  0.149533D+01
      5   0.331801D+00  0.116005D+02  0.338815D+01  0.170764D+01  0.123180D+01
      6   0.392350D+00  0.274622D+00  0.101295D+01 -0.102862D+00  0.140331D+01
               151           152           153           154           155 
      1   0.948762D+01  0.198189D+01  0.493198D+01  0.194644D+02 -0.123553D+02
      2  -0.568827D+01 -0.111805D+01 -0.318312D+01 -0.283216D+01 -0.178979D+01
      3  -0.379935D+01 -0.863846D+00 -0.174886D+01 -0.166322D+02  0.141451D+02
      4   0.373614D+01  0.149250D+01  0.849270D+00 -0.312495D+02  0.295335D+02
      5   0.533704D+01  0.544527D+00  0.244170D+01 -0.595093D+01  0.421657D+01
      6   0.121461D+00  0.697251D+00  0.352607D+00  0.213926D+01 -0.178839D+01
               156           157           158           159           160 
      1  -0.247108D+01 -0.764880D+01  0.148080D+01  0.582969D+00 -0.631668D+00
      2   0.914894D+00 -0.689081D+01  0.186063D+02  0.102271D+01 -0.129898D+01
      3   0.155619D+01  0.145396D+02 -0.200871D+02 -0.160568D+01  0.193065D+01
      4   0.420472D+01  0.323346D+02 -0.442742D+02 -0.744437D+01  0.580340D+01
      5   0.600222D+01  0.660780D+01 -0.787639D+01 -0.673392D+01  0.298172D+01
      6  -0.329944D+01 -0.406510D+01  0.593038D+01  0.631514D+01 -0.227859D+01
               161           162           163           164           165 
      1  -0.352331D+00 -0.266246D+00 -0.553712D+01 -0.823051D+01 -0.308629D+01
      2   0.297350D+01  0.143568D+01  0.655306D+01  0.939750D+01  0.195596D+01
      3  -0.262117D+01 -0.116943D+01 -0.101594D+01 -0.116699D+01  0.113034D+01
      4  -0.786616D+01 -0.425809D+01  0.418041D+01  0.720112D+01  0.167506D+01
      5  -0.336432D+01 -0.195434D+01  0.119626D+01  0.146541D+01  0.159184D+01
      6   0.359644D+01  0.233188D+01  0.310285D+01  0.415120D+01  0.301038D+01
               166           167           168           169           170 
      1  -0.795935D+01 -0.303322D+02 -0.922649D+01 -0.270164D+01 -0.897974D+01
      2   0.955985D+01  0.384408D+02  0.793959D+01  0.281827D+01  0.971789D+01
      3  -0.160050D+01 -0.810857D+01  0.128690D+01 -0.116631D+00 -0.738151D+00
      4   0.543793D+01  0.377832D+00 -0.525654D+00  0.169965D+01  0.290195D+00
      5   0.110692D+01 -0.632120D+00 -0.272714D+00  0.110327D+01  0.515091D+00
      6   0.369464D+01  0.139903D+02  0.950205D+01  0.170229D+01  0.613470D+01
               171 
      1  -0.438209D+01
      2   0.408990D+01
      3   0.292186D+00
      4   0.162539D+01
      5   0.852515D+00
      6   0.468656D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:01:39 2021, MaxMem=  5368709120 cpu:            7686.3 elap:             964.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46678 -10.49889 -10.44766 -10.44228 -10.44164
 Alpha  occ. eigenvalues --  -10.44035 -10.43961 -10.43766 -10.43635  -1.15379
 Alpha  occ. eigenvalues --   -0.99547  -0.91386  -0.87470  -0.85556  -0.76882
 Alpha  occ. eigenvalues --   -0.73002  -0.69911  -0.63937  -0.63093  -0.57941
 Alpha  occ. eigenvalues --   -0.56953  -0.55230  -0.54803  -0.52983  -0.50604
 Alpha  occ. eigenvalues --   -0.49759  -0.48035  -0.46631  -0.44304  -0.43214
 Alpha  occ. eigenvalues --   -0.40059  -0.34916  -0.34035
 Alpha virt. eigenvalues --    0.04424   0.05957   0.06392   0.06676   0.07127
 Alpha virt. eigenvalues --    0.07845   0.08629   0.09408   0.12093   0.12456
 Alpha virt. eigenvalues --    0.13117   0.14203   0.16912   0.17236   0.17916
 Alpha virt. eigenvalues --    0.18976   0.20095   0.20506   0.21493   0.21902
 Alpha virt. eigenvalues --    0.22578   0.23005   0.24401   0.24794   0.25455
 Alpha virt. eigenvalues --    0.26233   0.26438   0.28933   0.29443   0.29703
 Alpha virt. eigenvalues --    0.30521   0.31016   0.31596   0.32303   0.32950
 Alpha virt. eigenvalues --    0.33578   0.33903   0.34825   0.35710   0.36030
 Alpha virt. eigenvalues --    0.36434   0.37271   0.38007   0.38105   0.38938
 Alpha virt. eigenvalues --    0.39745   0.40267   0.41086   0.41273   0.41760
 Alpha virt. eigenvalues --    0.41945   0.42362   0.43189   0.43748   0.44271
 Alpha virt. eigenvalues --    0.44807   0.45368   0.45853   0.46542   0.46840
 Alpha virt. eigenvalues --    0.46873   0.47877   0.48025   0.48373   0.49369
 Alpha virt. eigenvalues --    0.49498   0.50226   0.51135   0.52273   0.52599
 Alpha virt. eigenvalues --    0.53512   0.54219   0.54936   0.55223   0.55660
 Alpha virt. eigenvalues --    0.56770   0.57380   0.58676   0.59215   0.59752
 Alpha virt. eigenvalues --    0.61768   0.62860   0.63444   0.63815   0.65144
 Alpha virt. eigenvalues --    0.65843   0.67910   0.68633   0.68794   0.69320
 Alpha virt. eigenvalues --    0.70658   0.71166   0.72371   0.73366   0.74277
 Alpha virt. eigenvalues --    0.74520   0.76441   0.76870   0.78371   0.80508
 Alpha virt. eigenvalues --    0.80869   0.81796   0.82016   0.82877   0.84810
 Alpha virt. eigenvalues --    0.86489   0.87003   0.88061   0.92812   0.94379
 Alpha virt. eigenvalues --    0.96097   1.01268   1.02686   1.03128   1.04475
 Alpha virt. eigenvalues --    1.05307   1.05758   1.06354   1.07321   1.08278
 Alpha virt. eigenvalues --    1.08789   1.10402   1.11673   1.13153   1.14944
 Alpha virt. eigenvalues --    1.15316   1.18109   1.18455   1.19059   1.19643
 Alpha virt. eigenvalues --    1.20873   1.21673   1.23108   1.26017   1.27161
 Alpha virt. eigenvalues --    1.28353   1.29665   1.30010   1.32256   1.34899
 Alpha virt. eigenvalues --    1.36475   1.37639   1.39754   1.44425   1.45691
 Alpha virt. eigenvalues --    1.46873   1.48421   1.52535   1.60209   1.61766
 Alpha virt. eigenvalues --    1.64980   1.66242   1.66586   1.68987   1.70334
 Alpha virt. eigenvalues --    1.71673   1.73040   1.75581   1.76166   1.78990
 Alpha virt. eigenvalues --    1.82744   1.83391   1.84400   1.87875   1.91515
 Alpha virt. eigenvalues --    1.92268   1.94168   1.96773   1.97870   1.98665
 Alpha virt. eigenvalues --    1.99751   2.01290   2.03756   2.04337   2.07070
 Alpha virt. eigenvalues --    2.08054   2.10646   2.11608   2.11996   2.13218
 Alpha virt. eigenvalues --    2.14845   2.17060   2.17898   2.19175   2.20636
 Alpha virt. eigenvalues --    2.23612   2.26403   2.28789   2.30407   2.31611
 Alpha virt. eigenvalues --    2.35169   2.38114   2.40304   2.43539   2.45601
 Alpha virt. eigenvalues --    2.45884   2.48358   2.50271   2.50948   2.52708
 Alpha virt. eigenvalues --    2.54860   2.56781   2.58131   2.60339   2.64499
 Alpha virt. eigenvalues --    2.67055   2.72239   2.74871   2.78270   2.82652
 Alpha virt. eigenvalues --    2.92621   2.93156   2.94956   2.95043   3.00283
 Alpha virt. eigenvalues --    3.05911   3.09430   3.10530   3.12845   3.16154
 Alpha virt. eigenvalues --    3.18932   3.21764   3.24181   3.26560   3.31112
 Alpha virt. eigenvalues --    3.33718   3.43057   3.62747   3.79492   4.01388
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    7.951040   0.314894   0.240074  -0.041243  -0.041975  -0.071287
     2  C    0.314894   5.672516   0.052411   0.140209   0.346634   0.142862
     3  H    0.240074   0.052411   0.504415  -0.027708  -0.028470  -0.016622
     4  H   -0.041243   0.140209  -0.027708   1.145775  -0.005844  -0.168812
     5  C   -0.041975   0.346634  -0.028470  -0.005844   4.368623   0.003047
     6  C   -0.071287   0.142862  -0.016622  -0.168812   0.003047   9.307203
     7  H   -0.002218   0.054060   0.001890  -0.028628   0.285561  -0.022143
     8  H    0.040616  -0.053006  -0.011588   0.010154   0.294918   0.019493
     9  H   -0.032982   0.160032   0.005035  -0.011206   0.333872  -0.108755
    10  C   -0.078382  -0.390560   0.013827   0.056746  -0.027367  -0.561433
    11  C    0.029437   0.026240  -0.001501  -0.001333  -0.001203   0.425048
    12  C    0.002025   0.050255  -0.000335   0.000470   0.004260  -0.231179
    13  C    0.006823   0.069583  -0.000261   0.014669   0.001915   0.524066
    14  C   -0.009228  -0.458710   0.011593  -0.114987  -0.036030  -0.715175
    15  H   -0.057298  -0.175749   0.008921   0.002083  -0.006288  -0.950888
    16  H    0.002607   0.000971  -0.000308   0.000325   0.000793   0.018238
    17  H   -0.000401  -0.003718   0.000010  -0.000024  -0.000265   0.119221
    18  H    0.000286   0.009019  -0.000020  -0.001206   0.000605   0.088879
    19  H    0.008452  -0.324785   0.002430  -0.010318  -0.002300  -0.997822
               7          8          9         10         11         12
     1  O   -0.002218   0.040616  -0.032982  -0.078382   0.029437   0.002025
     2  C    0.054060  -0.053006   0.160032  -0.390560   0.026240   0.050255
     3  H    0.001890  -0.011588   0.005035   0.013827  -0.001501  -0.000335
     4  H   -0.028628   0.010154  -0.011206   0.056746  -0.001333   0.000470
     5  C    0.285561   0.294918   0.333872  -0.027367  -0.001203   0.004260
     6  C   -0.022143   0.019493  -0.108755  -0.561433   0.425048  -0.231179
     7  H    0.710752   0.009878  -0.027107  -0.007140  -0.000805  -0.000144
     8  H    0.009878   0.682613  -0.070538   0.001258  -0.000534  -0.000116
     9  H   -0.027107  -0.070538   0.725968   0.010791  -0.001836  -0.000402
    10  C   -0.007140   0.001258   0.010791   7.852036  -0.823425   0.459802
    11  C   -0.000805  -0.000534  -0.001836  -0.823425   7.408787  -0.143384
    12  C   -0.000144  -0.000116  -0.000402   0.459802  -0.143384   6.689990
    13  C    0.000692  -0.000161  -0.000248  -0.178282   0.518922  -0.214614
    14  C   -0.013793   0.002948   0.008118   0.086986  -0.236978   0.476512
    15  H   -0.004197  -0.000446   0.010549   0.174639  -0.468719  -0.057240
    16  H    0.000296  -0.000002  -0.000962  -0.305340  -0.115116  -0.406231
    17  H    0.000013   0.000002   0.000077  -0.013615  -0.308062   0.099792
    18  H   -0.001053  -0.000009  -0.000027   0.145528  -0.059754  -0.450559
    19  H    0.007470   0.002071   0.003035   0.025731   0.181529  -0.042665
              13         14         15         16         17         18
     1  O    0.006823  -0.009228  -0.057298   0.002607  -0.000401   0.000286
     2  C    0.069583  -0.458710  -0.175749   0.000971  -0.003718   0.009019
     3  H   -0.000261   0.011593   0.008921  -0.000308   0.000010  -0.000020
     4  H    0.014669  -0.114987   0.002083   0.000325  -0.000024  -0.001206
     5  C    0.001915  -0.036030  -0.006288   0.000793  -0.000265   0.000605
     6  C    0.524066  -0.715175  -0.950888   0.018238   0.119221   0.088879
     7  H    0.000692  -0.013793  -0.004197   0.000296   0.000013  -0.001053
     8  H   -0.000161   0.002948  -0.000446  -0.000002   0.000002  -0.000009
     9  H   -0.000248   0.008118   0.010549  -0.000962   0.000077  -0.000027
    10  C   -0.178282   0.086986   0.174639  -0.305340  -0.013615   0.145528
    11  C    0.518922  -0.236978  -0.468719  -0.115116  -0.308062  -0.059754
    12  C   -0.214614   0.476512  -0.057240  -0.406231   0.099792  -0.450559
    13  C    7.345395  -0.989359   0.164221  -0.048190  -0.332138  -0.027132
    14  C   -0.989359   8.195884   0.090459   0.134855   0.004661  -0.403445
    15  H    0.164221   0.090459   2.247727  -0.522194   0.056193  -0.019355
    16  H   -0.048190   0.134855  -0.522194   2.315304  -0.490581   0.058881
    17  H   -0.332138   0.004661   0.056193  -0.490581   1.983773  -0.512569
    18  H   -0.027132  -0.403445  -0.019355   0.058881  -0.512569   2.351685
    19  H   -0.482340   0.461972   0.051974  -0.019691   0.058004  -0.524833
              19
     1  O    0.008452
     2  C   -0.324785
     3  H    0.002430
     4  H   -0.010318
     5  C   -0.002300
     6  C   -0.997822
     7  H    0.007470
     8  H    0.002071
     9  H    0.003035
    10  C    0.025731
    11  C    0.181529
    12  C   -0.042665
    13  C   -0.482340
    14  C    0.461972
    15  H    0.051974
    16  H   -0.019691
    17  H    0.058004
    18  H   -0.524833
    19  H    2.347483
 Mulliken charges:
               1
     1  O   -0.261240
     2  C    0.366843
     3  H    0.246212
     4  H    0.040880
     5  C    0.509515
     6  C   -0.803939
     7  H    0.036616
     8  H    0.072450
     9  H   -0.003411
    10  C   -0.441800
    11  C   -0.427311
    12  C   -0.236237
    13  C   -0.373560
    14  C   -0.496284
    15  H    0.455607
    16  H    0.376346
    17  H    0.339630
    18  H    0.345080
    19  H    0.254603
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.015028
     2  C    0.407723
     5  C    0.615170
     6  C   -0.803939
    10  C    0.013808
    11  C   -0.050965
    12  C    0.103393
    13  C   -0.028480
    14  C   -0.241681
 Electronic spatial extent (au):  <R**2>=           1264.7020
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1156    Y=             -1.3036    Z=              0.6525  Tot=              1.8357
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -43.9802   YY=            -52.0988   ZZ=            -58.1689
   XY=              1.7153   XZ=              0.0180   YZ=              2.8788
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.4357   YY=             -0.6828   ZZ=             -6.7530
   XY=              1.7153   XZ=              0.0180   YZ=              2.8788
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.1292  YYY=              1.5111  ZZZ=             -0.7416  XYY=              2.6827
  XXY=              2.0218  XXZ=             -1.5052  XZZ=             -7.8219  YZZ=             -0.5882
  YYZ=              0.5955  XYZ=              0.9102
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -984.5335 YYYY=           -357.4862 ZZZZ=           -167.2008 XXXY=            -28.7046
 XXXZ=             30.3789 YYYX=             -4.8437 YYYZ=              8.8381 ZZZX=              3.1994
 ZZZY=             -0.2486 XXYY=           -246.3406 XXZZ=           -235.2781 YYZZ=            -93.3026
 XXYZ=              5.8913 YYXZ=              1.4386 ZZXY=              0.4147
 N-N= 4.258905530360D+02 E-N=-1.746319968314D+03  KE= 3.810312739638D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:01:40 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.53321986D-01-4.49613410D-01 2.20954456D-01
 Polarizability= 1.21709584D+02 1.23939462D+00 9.77839299D+01
                 1.42346116D+00 6.58963769D+00 6.53077565D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7449   -0.7422        0.5446    0.5376
 2      0.7449    0.7422       -3.2619   -3.2606      -12.0370  -12.0168
 3     -0.5446   -0.5376       28.0085   27.9889        3.2585    3.2606
 4      3.2619    3.2606        0.0000    0.0000       -0.5420   -0.5376
 5    -15.9714  -15.9721        0.5420    0.5376       -0.7437   -0.7422
 6     -3.2585   -3.2606        0.7437    0.7422       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.2265    2.2265        1.6127    1.6127
 2      9.7817    9.7817        0.0000    0.0000        1.6127    1.6127
 3      9.7817    9.7817        2.2265    2.2265       -0.0000    0.0000
 4      2.2265    2.2265       -9.7817   -9.7817      -36.0503  -36.0503
 5     -1.6127   -1.6127       83.9667   83.9667        9.7817    9.7817
 6    -47.9164  -47.9164        1.6127    1.6127       -2.2265   -2.2265
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1969    0.0000        3.1417    2.9687       -2.3457   -2.1502
 2     -3.1107   -2.9687       12.5273   13.0423       47.6278   48.0671
 3      2.1057    2.1502     -111.7792 -111.9556      -13.1898  -13.0423
 4    -12.4801  -13.0423        0.0254    0.0000        2.2117    2.1502
 5     63.5592   63.8885       -1.9101   -2.1502        2.8021    2.9687
 6     13.2239   13.0423       -3.3364   -2.9687       -0.0414    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4032    0.0000        0.3681    0.3917       -9.7131   -9.4680
 2     -0.3297   -0.3917      -41.3719  -41.4966      -28.4181  -28.8527
 3      9.3986    9.4680      -22.4077  -22.6875       41.4587   41.4966
 4     41.5543   41.4966        0.0470    0.0000        9.6346    9.4680
 5     50.5095   51.5402      -10.2343   -9.4680        0.4074    0.3917
 6    -42.0658  -41.4966       -0.4358   -0.3917        0.0984    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     19.7533   19.9366        2.8815    3.1404       19.4411   19.6720
 2     84.3044   83.7646       -4.7308   -4.8466       19.6528   19.6720
 3     84.1630   83.7646        3.1465    3.1404       18.2971   18.1914
 4      7.7597    7.9870      -64.3141  -63.8280      -36.6664  -36.8039
 5     -1.1674   -1.4806      -44.6422  -44.6346       63.7277   63.8280
 6     79.6855   81.4385       -0.2275    1.4806       -7.5574   -7.9870
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6511   -1.4476   -0.6406    0.0002    0.0005    0.0010
 Low frequencies ---   33.5755  131.6374  217.9885
 Diagonal vibrational polarizability:
        7.4278117       8.9598661      77.3602705
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     33.5615               131.6371               217.9884
 Red. masses --      3.5907                 3.4745                 2.4037
 Frc consts  --      0.0024                 0.0355                 0.0673
 IR Inten    --      1.3167                 3.6066                 2.3221
 RamAct Fr= 1--      3.3003                 3.6140                 0.1354
  Dep-P Fr= 1--      0.7498                 0.7298                 0.5213
  Dep-U Fr= 1--      0.8570                 0.8438                 0.6854
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0006
 Beta2  Fr= 1--      0.4714                 0.5082                 0.0155
 AlphaG Fr= 1--      0.0001                 0.0018                -0.0013
 Gamma2 Fr= 1--     -0.4849                -0.4053                -0.1043
 Delta2 Fr= 1--     -0.5360                -0.1970                -0.0484
 Raman1 Fr= 1--      13.201                 14.456                  0.542
 ROA1   Fr= 1--     -63.698                -45.210                -11.561
 CID1   Fr= 1--      -4.825                 -3.127                -21.346
 Raman2 Fr= 1--       5.657                  6.099                  0.186
 ROA2   Fr= 1--      -7.349                 -8.150                 -2.116
 CID2   Fr= 1--      -1.299                 -1.336                -11.399
 Raman3 Fr= 1--      11.314                 12.198                  0.371
 ROA3   Fr= 1--     -63.698                -45.210                -11.561
 CID3   Fr= 1--      -5.630                 -3.706                -31.146
 RC180  Fr= 1--       0.714                  0.688                  0.371
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.11   0.19    -0.12  -0.02   0.02     0.15   0.08   0.07
     2   6     0.00   0.05  -0.05    -0.01   0.02  -0.04    -0.02  -0.02  -0.01
     3   1    -0.02   0.07   0.15    -0.10  -0.04   0.24     0.14   0.23   0.14
     4   1     0.01   0.19  -0.19    -0.09  -0.02   0.01    -0.16   0.02  -0.02
     5   6     0.00  -0.21  -0.14     0.25   0.03   0.08    -0.00   0.06   0.03
     6   6     0.00   0.03  -0.02    -0.00   0.05  -0.18    -0.01  -0.13  -0.06
     7   1     0.01  -0.26  -0.32     0.34   0.06   0.03    -0.32  -0.14  -0.15
     8   1     0.01  -0.20  -0.17     0.23  -0.02   0.30    -0.07   0.48   0.18
     9   1    -0.01  -0.36  -0.01     0.37   0.06   0.02     0.39  -0.11   0.08
    10   6     0.03   0.06  -0.16    -0.00   0.04  -0.14    -0.09  -0.09  -0.06
    11   6     0.03   0.04  -0.15    -0.02  -0.03   0.06    -0.12   0.02  -0.01
    12   6     0.00  -0.01   0.01    -0.04  -0.07   0.20    -0.05   0.07   0.03
    13   6    -0.03  -0.04   0.15    -0.04  -0.03   0.06     0.05   0.03   0.01
    14   6    -0.03  -0.02   0.14    -0.02   0.03  -0.14     0.06  -0.08  -0.04
    15   1     0.05   0.09  -0.27     0.01   0.05  -0.19    -0.16  -0.14  -0.09
    16   1     0.06   0.06  -0.26    -0.01  -0.05   0.14    -0.20   0.05  -0.00
    17   1     0.00  -0.03   0.02    -0.06  -0.13   0.39    -0.06   0.14   0.08
    18   1    -0.05  -0.08   0.27    -0.05  -0.06   0.14     0.12   0.08   0.04
    19   1    -0.05  -0.04   0.25    -0.03   0.05  -0.19     0.14  -0.12  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    258.1857               272.1735               307.8811
 Red. masses --      1.0669                 1.3228                 3.0656
 Frc consts  --      0.0419                 0.0577                 0.1712
 IR Inten    --     96.3890                 8.1811                 1.1234
 RamAct Fr= 1--      1.1409                 0.2323                 1.5081
  Dep-P Fr= 1--      0.7304                 0.6739                 0.2062
  Dep-U Fr= 1--      0.8442                 0.8052                 0.3419
 Alpha2 Fr= 1--      0.0004                 0.0003                 0.0201
 Beta2  Fr= 1--      0.1605                 0.0312                 0.0859
 AlphaG Fr= 1--     -0.0018                 0.0010                -0.0004
 Gamma2 Fr= 1--      0.3828                 0.2392                -0.3823
 Delta2 Fr= 1--      0.1401                -0.0751                -0.0065
 Raman1 Fr= 1--       4.564                  0.929                  6.032
 ROA1   Fr= 1--      41.228                 20.564                -36.911
 CID1   Fr= 1--       9.034                 22.127                 -6.119
 Raman2 Fr= 1--       1.926                  0.374                  1.031
 ROA2   Fr= 1--       8.066                  6.343                 -9.123
 CID2   Fr= 1--       4.187                 16.952                 -8.846
 Raman3 Fr= 1--       3.853                  0.748                  2.063
 ROA3   Fr= 1--      41.228                 20.564                -36.911
 CID3   Fr= 1--      10.701                 27.480                -17.895
 RC180  Fr= 1--       0.688                  0.610                 -0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.02  -0.03    -0.06  -0.05  -0.07     0.07   0.06  -0.09
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01     0.02   0.04  -0.09
     3   1     0.03   0.29   0.92    -0.04  -0.01   0.20     0.08   0.18   0.09
     4   1    -0.00  -0.01  -0.00     0.05  -0.03   0.01    -0.00   0.06  -0.10
     5   6    -0.04   0.02  -0.02     0.02  -0.02  -0.01     0.24  -0.03  -0.03
     6   6     0.01  -0.01   0.00     0.00   0.04   0.03    -0.03  -0.01   0.02
     7   1     0.03   0.08   0.07    -0.35  -0.28  -0.33     0.52   0.09  -0.07
     8   1    -0.02  -0.10  -0.09    -0.06   0.48   0.15     0.25  -0.28   0.16
     9   1    -0.16   0.08  -0.05     0.47  -0.31   0.15     0.23   0.03  -0.08
    10   6     0.01  -0.01  -0.00     0.03   0.03   0.05    -0.08  -0.03   0.14
    11   6     0.00   0.00  -0.00     0.04   0.00   0.01    -0.08  -0.01   0.04
    12   6     0.01   0.01   0.00     0.02  -0.01  -0.03    -0.08   0.03  -0.14
    13   6     0.02   0.00   0.00    -0.02  -0.00   0.01    -0.07  -0.02   0.03
    14   6     0.02  -0.01   0.00    -0.02   0.03   0.04    -0.08  -0.05   0.14
    15   1    -0.00  -0.01  -0.01     0.05   0.04   0.07    -0.11  -0.06   0.21
    16   1    -0.00   0.01  -0.01     0.07  -0.01  -0.00    -0.07  -0.01   0.04
    17   1     0.01   0.01  -0.00     0.02  -0.03  -0.07    -0.06   0.07  -0.33
    18   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.06  -0.02   0.04
    19   1     0.03  -0.01  -0.00    -0.05   0.04   0.04    -0.11  -0.07   0.23
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.0551               413.8222               482.0566
 Red. masses --      4.2985                 2.9661                 3.3005
 Frc consts  --      0.3582                 0.2993                 0.4519
 IR Inten    --      6.2454                 0.2157                 1.6721
 RamAct Fr= 1--      1.5164                 0.0081                 2.9934
  Dep-P Fr= 1--      0.4758                 0.7341                 0.0960
  Dep-U Fr= 1--      0.6448                 0.8467                 0.1752
 Alpha2 Fr= 1--      0.0083                 0.0000                 0.0529
 Beta2  Fr= 1--      0.1630                 0.0011                 0.0874
 AlphaG Fr= 1--     -0.0055                -0.0004                -0.0056
 Gamma2 Fr= 1--      0.2157                -0.1381                 0.1365
 Delta2 Fr= 1--     -0.0085                -0.0261                -0.0822
 Raman1 Fr= 1--       6.066                  0.032                 11.974
 ROA1   Fr= 1--      20.432                -14.091                 10.470
 CID1   Fr= 1--       3.368               -434.270                  0.874
 Raman2 Fr= 1--       1.955                  0.014                  1.049
 ROA2   Fr= 1--       5.245                 -3.106                  3.933
 CID2   Fr= 1--       2.682               -226.109                  3.750
 Raman3 Fr= 1--       3.911                  0.027                  2.098
 ROA3   Fr= 1--      20.432                -14.091                 10.470
 CID3   Fr= 1--       5.224               -512.927                  4.992
 RC180  Fr= 1--       0.290                  0.693                 -0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.05  -0.11    -0.00   0.00   0.01     0.06  -0.14   0.18
     2   6     0.06  -0.04   0.13     0.01  -0.00  -0.00     0.17  -0.11  -0.08
     3   1     0.27   0.28   0.11    -0.00  -0.02  -0.01     0.07  -0.27   0.14
     4   1     0.12  -0.10   0.17     0.02  -0.00  -0.01     0.24  -0.08  -0.12
     5   6    -0.01  -0.15   0.09     0.00   0.01  -0.01     0.03   0.12  -0.12
     6   6    -0.02   0.08   0.10     0.00  -0.00  -0.00     0.06   0.07  -0.03
     7   1     0.04  -0.17  -0.05     0.00   0.01   0.01    -0.27   0.10   0.22
     8   1     0.01  -0.22   0.01     0.00   0.01  -0.01     0.00   0.38  -0.27
     9   1    -0.08  -0.28   0.22    -0.01   0.02  -0.02     0.04   0.32  -0.30
    10   6    -0.02   0.13  -0.06    -0.02  -0.05   0.21    -0.03   0.10   0.02
    11   6    -0.02   0.05  -0.06     0.02   0.05  -0.20    -0.04   0.03   0.04
    12   6    -0.12  -0.05   0.10    -0.00   0.00  -0.00    -0.11  -0.02  -0.05
    13   6    -0.13  -0.00  -0.06    -0.02  -0.05   0.20    -0.08  -0.05  -0.00
    14   6    -0.11   0.08  -0.09     0.02   0.05  -0.20    -0.06   0.01   0.01
    15   1    -0.00   0.16  -0.16    -0.05  -0.11   0.44    -0.06   0.07   0.04
    16   1     0.06   0.03  -0.13     0.04   0.11  -0.44     0.05  -0.02   0.08
    17   1    -0.13  -0.14   0.22    -0.00   0.00  -0.01    -0.11  -0.04  -0.09
    18   1    -0.15  -0.00  -0.12    -0.04  -0.11   0.44    -0.07  -0.05   0.03
    19   1    -0.19   0.16  -0.21     0.04   0.11  -0.43    -0.17   0.05   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    544.1089               612.4865               638.1807
 Red. masses --      3.1831                 3.5630                 6.3810
 Frc consts  --      0.5552                 0.7875                 1.5312
 IR Inten    --     11.8020                14.4152                 0.1608
 RamAct Fr= 1--      0.8237                 0.9783                 4.2441
  Dep-P Fr= 1--      0.2068                 0.7482                 0.7462
  Dep-U Fr= 1--      0.3427                 0.8560                 0.8547
 Alpha2 Fr= 1--      0.0110                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0470                 0.1396                 0.6046
 AlphaG Fr= 1--     -0.0043                 0.0006                -0.0027
 Gamma2 Fr= 1--      0.0208                 0.1122                -0.0311
 Delta2 Fr= 1--     -0.0722                 0.0500                -0.0244
 Raman1 Fr= 1--       3.295                  3.913                 16.977
 ROA1   Fr= 1--      -0.310                 12.372                 -3.762
 CID1   Fr= 1--      -0.094                  3.162                 -0.222
 Raman2 Fr= 1--       0.565                  1.675                  7.255
 ROA2   Fr= 1--       1.077                  2.294                 -0.550
 CID2   Fr= 1--       1.908                  1.370                 -0.076
 Raman3 Fr= 1--       1.129                  3.349                 14.510
 ROA3   Fr= 1--      -0.310                 12.372                 -3.762
 CID3   Fr= 1--      -0.275                  3.694                 -0.259
 RC180  Fr= 1--      -0.315                  0.712                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.03   0.00    -0.10   0.04  -0.07    -0.00   0.03  -0.01
     2   6     0.05   0.05  -0.04     0.17   0.18   0.16     0.00   0.01   0.02
     3   1    -0.07  -0.15   0.03    -0.07  -0.24   0.03    -0.00   0.04   0.01
     4   1     0.16   0.10  -0.11     0.17   0.10   0.23     0.02   0.01   0.02
     5   6     0.09   0.06  -0.09    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     6   6     0.01  -0.08   0.27     0.17  -0.02  -0.03    -0.01   0.14   0.03
     7   1     0.12   0.08  -0.08    -0.08  -0.10  -0.18    -0.00  -0.01  -0.01
     8   1     0.08   0.07   0.00     0.03  -0.04  -0.35    -0.01  -0.01   0.01
     9   1     0.16   0.09  -0.14    -0.29  -0.26   0.33    -0.02  -0.03   0.04
    10   6    -0.03  -0.02   0.04    -0.01   0.03  -0.03    -0.26   0.19   0.01
    11   6    -0.03   0.03  -0.13    -0.06   0.08   0.05    -0.23  -0.25  -0.07
    12   6    -0.06  -0.04   0.18    -0.17   0.02  -0.06     0.01  -0.14  -0.05
    13   6     0.03   0.00  -0.13     0.02  -0.11   0.01     0.28  -0.22  -0.02
    14   6     0.01  -0.06   0.03     0.04  -0.17  -0.07     0.22   0.22   0.06
    15   1    -0.05   0.01  -0.26    -0.18  -0.11   0.01    -0.13   0.27   0.06
    16   1     0.01   0.11  -0.46     0.00   0.01   0.17    -0.07  -0.33  -0.04
    17   1    -0.07  -0.02   0.21    -0.17   0.05  -0.03    -0.04   0.28   0.06
    18   1     0.10   0.11  -0.46     0.18  -0.02   0.16     0.14  -0.32  -0.02
    19   1     0.03   0.02  -0.25    -0.05  -0.15   0.01     0.06   0.28   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0894               771.8462               778.9327
 Red. masses --      1.7591                 2.3856                 2.4142
 Frc consts  --      0.5285                 0.8373                 0.8630
 IR Inten    --     43.4969                25.5991                 7.1912
 RamAct Fr= 1--      0.0851                 7.7361                 7.9197
  Dep-P Fr= 1--      0.0726                 0.0301                 0.0541
  Dep-U Fr= 1--      0.1354                 0.0585                 0.1027
 Alpha2 Fr= 1--      0.0016                 0.1602                 0.1549
 Beta2  Fr= 1--      0.0019                 0.0754                 0.1356
 AlphaG Fr= 1--     -0.0007                -0.0286                 0.0169
 Gamma2 Fr= 1--      0.0026                 0.6812                 0.7075
 Delta2 Fr= 1--      0.0151                 0.2905                 0.1142
 Raman1 Fr= 1--       0.340                 30.944                 31.679
 ROA1   Fr= 1--       0.730                 74.697                 71.576
 CID1   Fr= 1--       2.145                  2.414                  2.259
 Raman2 Fr= 1--       0.023                  0.905                  1.627
 ROA2   Fr= 1--      -0.059                 14.026                 16.068
 CID2   Fr= 1--      -2.567                 15.494                  9.875
 Raman3 Fr= 1--       0.046                  1.810                  3.254
 ROA3   Fr= 1--       0.730                 74.697                 71.576
 CID3   Fr= 1--      15.838                 41.258                 21.996
 RC180  Fr= 1--      -0.729                 -0.883                 -0.795
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.02   0.04  -0.01
     2   6     0.00  -0.00   0.00     0.06   0.05   0.06    -0.10  -0.08  -0.08
     3   1     0.00   0.00   0.01     0.01  -0.12   0.03    -0.03   0.16  -0.04
     4   1    -0.02  -0.01   0.02     0.15   0.03   0.06    -0.03   0.03  -0.20
     5   6    -0.00  -0.00   0.00     0.05   0.05  -0.07    -0.05  -0.04   0.02
     6   6     0.01   0.03  -0.10    -0.06  -0.05   0.17     0.04  -0.03   0.14
     7   1    -0.02  -0.01   0.00     0.06   0.03  -0.15     0.07   0.05   0.15
     8   1     0.00   0.00  -0.03     0.07   0.02  -0.15    -0.09  -0.04   0.41
     9   1    -0.03  -0.01   0.02    -0.00  -0.03   0.01     0.22   0.14  -0.20
    10   6    -0.01  -0.01   0.07    -0.02  -0.08  -0.10     0.04   0.12  -0.02
    11   6     0.01   0.04  -0.14    -0.04  -0.09  -0.02     0.05   0.12   0.04
    12   6    -0.01  -0.02   0.07     0.09   0.04  -0.11    -0.09   0.01  -0.10
    13   6     0.01   0.03  -0.14    -0.05   0.08   0.03     0.05  -0.09  -0.02
    14   6    -0.01  -0.02   0.07    -0.03   0.07  -0.07     0.05  -0.06  -0.07
    15   1    -0.05  -0.10   0.48     0.01  -0.07   0.01    -0.02   0.08  -0.01
    16   1    -0.01  -0.05   0.19    -0.22  -0.15   0.44     0.17  -0.03   0.35
    17   1    -0.06  -0.14   0.55     0.03  -0.09   0.48    -0.13  -0.12   0.35
    18   1    -0.02  -0.06   0.21    -0.18  -0.10   0.46     0.13  -0.11   0.37
    19   1    -0.05  -0.13   0.50     0.02   0.01   0.06    -0.03  -0.06   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    859.6268               906.9440               927.8562
 Red. masses --      1.2499                 2.3304                 1.4043
 Frc consts  --      0.5442                 1.1294                 0.7123
 IR Inten    --      0.1331                19.8627                 4.2069
 RamAct Fr= 1--      0.8888                 3.9492                 0.8960
  Dep-P Fr= 1--      0.5904                 0.7247                 0.3536
  Dep-U Fr= 1--      0.7425                 0.8404                 0.5225
 Alpha2 Fr= 1--      0.0026                 0.0017                 0.0078
 Beta2  Fr= 1--      0.1100                 0.5532                 0.0780
 AlphaG Fr= 1--      0.0040                -0.0069                -0.0122
 Gamma2 Fr= 1--     -0.2037                -1.4073                -1.0857
 Delta2 Fr= 1--     -0.0567                -1.2663                 0.2286
 Raman1 Fr= 1--       3.555                 15.797                  3.584
 ROA1   Fr= 1--     -21.375               -175.624                -96.910
 CID1   Fr= 1--      -6.012                -11.118                -27.039
 Raman2 Fr= 1--       1.320                  6.638                  0.936
 ROA2   Fr= 1--      -4.436                -23.645                -27.885
 CID2   Fr= 1--      -3.361                 -3.562                -29.782
 Raman3 Fr= 1--       2.640                 13.276                  1.873
 ROA3   Fr= 1--     -21.375               -175.624                -96.910
 CID3   Fr= 1--      -8.098                -13.229                -51.751
 RC180  Fr= 1--       0.485                  0.681                  0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.05   0.14  -0.06     0.01  -0.02   0.01
     2   6     0.00  -0.00   0.00     0.16  -0.05  -0.07    -0.01   0.01  -0.01
     3   1    -0.00  -0.00  -0.00    -0.03  -0.10   0.06     0.01   0.01  -0.01
     4   1     0.00   0.01  -0.00     0.25   0.13  -0.24    -0.09  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.01  -0.14   0.13     0.00   0.01   0.01
     6   6     0.00  -0.00   0.00     0.04   0.01   0.00    -0.00   0.01  -0.07
     7   1    -0.01  -0.00   0.01    -0.34  -0.13   0.67    -0.01  -0.02  -0.05
     8   1     0.00   0.00  -0.01    -0.05   0.20   0.03     0.02  -0.01  -0.09
     9   1    -0.00  -0.00  -0.00    -0.01   0.18  -0.16    -0.07  -0.05   0.08
    10   6    -0.01  -0.02   0.06    -0.01  -0.04  -0.00    -0.01  -0.01   0.08
    11   6    -0.01  -0.02   0.08    -0.03  -0.06  -0.02     0.00   0.00   0.03
    12   6     0.00  -0.00   0.01     0.03   0.01  -0.01     0.01   0.02  -0.10
    13   6     0.01   0.02  -0.07    -0.05   0.05   0.00     0.01   0.00  -0.03
    14   6     0.01   0.02  -0.08    -0.02   0.02   0.02    -0.01  -0.03   0.11
    15   1     0.04   0.10  -0.43    -0.01  -0.04  -0.08     0.04   0.11  -0.42
    16   1     0.05   0.12  -0.51    -0.10  -0.03  -0.00     0.03   0.05  -0.19
    17   1     0.01   0.02  -0.07     0.02  -0.03   0.09    -0.06  -0.14   0.58
    18   1    -0.05  -0.12   0.45    -0.11   0.02   0.01    -0.00  -0.04   0.13
    19   1    -0.05  -0.13   0.51    -0.01   0.05  -0.07     0.06   0.14  -0.55
                     19                     20                     21
                      A                      A                      A
 Frequencies --    963.9874               984.8874              1020.1609
 Red. masses --      1.3182                 1.2729                 2.0420
 Frc consts  --      0.7217                 0.7275                 1.2521
 IR Inten    --      0.0681                 0.9658                 6.3733
 RamAct Fr= 1--      0.0424                 0.2571                21.9277
  Dep-P Fr= 1--      0.4512                 0.2055                 0.1443
  Dep-U Fr= 1--      0.6219                 0.3409                 0.2522
 Alpha2 Fr= 1--      0.0003                 0.0034                 0.3439
 Beta2  Fr= 1--      0.0044                 0.0146                 0.9216
 AlphaG Fr= 1--      0.0023                 0.0033                -0.0420
 Gamma2 Fr= 1--      0.1884                 0.2721                 2.7475
 Delta2 Fr= 1--     -0.0589                -0.1293                 2.6694
 Raman1 Fr= 1--       0.170                  1.028                 87.711
 ROA1   Fr= 1--      16.203                 21.983                349.177
 CID1   Fr= 1--      95.556                 21.377                  3.981
 Raman2 Fr= 1--       0.053                  0.175                 11.059
 ROA2   Fr= 1--       4.993                  7.564                 44.584
 CID2   Fr= 1--      94.711                 43.148                  4.031
 Raman3 Fr= 1--       0.105                  0.351                 22.118
 ROA3   Fr= 1--      16.203                 21.983                349.177
 CID3   Fr= 1--     153.661                 62.700                 15.787
 RC180  Fr= 1--       0.244                 -0.318                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.08   0.02
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.04   0.14  -0.08
     3   1     0.00  -0.01   0.00     0.00   0.00  -0.01     0.06  -0.30   0.10
     4   1     0.02   0.00  -0.01    -0.03  -0.01   0.01     0.28   0.18  -0.20
     5   6    -0.01  -0.00   0.00     0.00   0.00   0.01    -0.15   0.00   0.04
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.05   0.03  -0.02
     7   1     0.01   0.01  -0.00    -0.01  -0.01  -0.01     0.26   0.12  -0.16
     8   1    -0.01  -0.00   0.03     0.01  -0.00  -0.04    -0.17  -0.22   0.62
     9   1     0.01   0.01  -0.01    -0.03  -0.01   0.03     0.19  -0.05   0.02
    10   6     0.01   0.01  -0.07    -0.01  -0.01   0.09     0.06  -0.10  -0.00
    11   6    -0.00  -0.01   0.03     0.01   0.03  -0.10    -0.03  -0.04  -0.02
    12   6    -0.01  -0.01   0.06     0.00  -0.01   0.06    -0.09   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.01  -0.03    -0.01   0.02   0.00
    14   6    -0.01  -0.02   0.07    -0.00  -0.00   0.00     0.03   0.06   0.02
    15   1    -0.03  -0.08   0.34     0.04   0.13  -0.57     0.08  -0.08  -0.08
    16   1     0.01   0.03  -0.12    -0.06  -0.15   0.63    -0.08  -0.03  -0.01
    17   1     0.03   0.09  -0.36     0.04   0.09  -0.37    -0.10   0.06   0.03
    18   1    -0.06  -0.16   0.65    -0.02  -0.06   0.21     0.01   0.04  -0.01
    19   1     0.04   0.12  -0.47     0.01   0.02  -0.09    -0.01   0.08   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.6378              1054.6141              1090.9288
 Red. masses --      4.7182                 2.1823                 1.7555
 Frc consts  --      2.9300                 1.4300                 1.2309
 IR Inten    --      1.2324                 5.9732                29.0194
 RamAct Fr= 1--     32.7904                16.8706                 0.3990
  Dep-P Fr= 1--      0.0508                 0.0387                 0.6637
  Dep-U Fr= 1--      0.0967                 0.0744                 0.7978
 Alpha2 Fr= 1--      0.6464                 0.3423                 0.0006
 Beta2  Fr= 1--      0.5287                 0.2093                 0.0531
 AlphaG Fr= 1--      0.0401                 0.0090                -0.0023
 Gamma2 Fr= 1--     -1.5304                -0.3207                -0.6351
 Delta2 Fr= 1--     -0.6597                -0.2113                -0.5405
 Raman1 Fr= 1--     131.162                 67.482                  1.596
 ROA1   Fr= 1--    -168.031                -37.549                -78.263
 CID1   Fr= 1--      -1.281                 -0.556                -49.042
 Raman2 Fr= 1--       6.345                  2.512                  0.637
 ROA2   Fr= 1--     -31.452                 -6.007                -10.918
 CID2   Fr= 1--      -4.957                 -2.391                -17.151
 Raman3 Fr= 1--      12.689                  5.024                  1.273
 ROA3   Fr= 1--    -168.031                -37.549                -78.263
 CID3   Fr= 1--     -13.242                 -7.474                -61.469
 RC180  Fr= 1--      -0.807                 -0.851                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.01    -0.01   0.01  -0.00     0.01  -0.05  -0.00
     2   6     0.04   0.09  -0.05    -0.01  -0.03   0.01    -0.05   0.08   0.07
     3   1     0.05  -0.21   0.07    -0.01   0.05  -0.02    -0.01   0.23  -0.07
     4   1     0.15   0.14  -0.13    -0.07  -0.06   0.05     0.10   0.14  -0.02
     5   6    -0.09   0.00   0.03     0.01   0.01  -0.01     0.04  -0.07  -0.04
     6   6     0.04   0.02  -0.01     0.02  -0.00   0.00    -0.04   0.06  -0.01
     7   1     0.16   0.08  -0.09     0.01   0.00  -0.05    -0.10  -0.02   0.27
     8   1    -0.10  -0.14   0.38     0.01  -0.01  -0.03     0.00   0.19  -0.04
     9   1     0.11  -0.04   0.02    -0.01  -0.01   0.01     0.07   0.18  -0.27
    10   6    -0.18   0.24   0.04     0.03   0.08   0.02     0.09  -0.03   0.01
    11   6    -0.03  -0.06  -0.01    -0.00  -0.18  -0.04    -0.04  -0.05  -0.02
    12   6     0.31   0.04   0.04    -0.13  -0.02  -0.02    -0.02   0.07   0.02
    13   6    -0.03   0.04   0.01    -0.05   0.18   0.04     0.07  -0.05  -0.00
    14   6    -0.13  -0.29  -0.09     0.06  -0.06  -0.01    -0.08  -0.07  -0.02
    15   1    -0.17   0.26   0.07     0.31   0.27   0.09     0.38   0.17   0.04
    16   1    -0.04  -0.04  -0.05     0.35  -0.35  -0.04    -0.18   0.01  -0.01
    17   1     0.32   0.06   0.07    -0.14  -0.04  -0.03    -0.06   0.46   0.11
    18   1    -0.01   0.05  -0.01     0.24   0.40   0.13     0.28   0.09   0.05
    19   1    -0.11  -0.31  -0.07     0.39  -0.20  -0.02    -0.31   0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.4884              1131.5845              1184.3171
 Red. masses --      2.4706                 1.9450                 1.1219
 Frc consts  --      1.7501                 1.4673                 0.9271
 IR Inten    --     22.9952                31.1954                 0.5690
 RamAct Fr= 1--     11.7933                 0.4071                 3.8712
  Dep-P Fr= 1--      0.1912                 0.7355                 0.7288
  Dep-U Fr= 1--      0.3210                 0.8476                 0.8431
 Alpha2 Fr= 1--      0.1639                 0.0001                 0.0014
 Beta2  Fr= 1--      0.6310                 0.0575                 0.5440
 AlphaG Fr= 1--      0.0753                -0.0025                -0.0002
 Gamma2 Fr= 1--     -0.4147                -0.4464                 0.0477
 Delta2 Fr= 1--     -0.6097                -0.1193                 0.1062
 Raman1 Fr= 1--      47.173                  1.628                 15.485
 ROA1   Fr= 1--     -59.319                -46.674                  7.980
 CID1   Fr= 1--      -1.257                -28.666                  0.515
 Raman2 Fr= 1--       7.572                  0.690                  6.528
 ROA2   Fr= 1--      -5.075                 -9.759                  0.296
 CID2   Fr= 1--      -0.670                -14.143                  0.045
 Raman3 Fr= 1--      15.145                  1.380                 13.056
 ROA3   Fr= 1--     -59.319                -46.674                  7.980
 CID3   Fr= 1--      -3.917                -33.819                  0.611
 RC180  Fr= 1--      -0.358                  0.695                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03   0.07  -0.03     0.03  -0.10  -0.00    -0.00  -0.00   0.00
     2   6     0.02  -0.11   0.25    -0.06   0.19   0.05    -0.00  -0.01  -0.01
     3   1    -0.04   0.11  -0.03     0.01   0.15  -0.06    -0.01   0.07  -0.02
     4   1     0.24  -0.04   0.15     0.02   0.31  -0.10     0.02  -0.02   0.00
     5   6    -0.06  -0.02  -0.16     0.04  -0.08  -0.02     0.00   0.01   0.00
     6   6     0.07   0.02  -0.08    -0.04  -0.01  -0.01     0.02   0.01   0.00
     7   1     0.26   0.16  -0.05    -0.13  -0.04   0.34    -0.00  -0.00  -0.02
     8   1    -0.10  -0.02   0.41    -0.00   0.23  -0.04     0.00  -0.01  -0.01
     9   1     0.42   0.18  -0.45     0.02   0.19  -0.25    -0.01  -0.01   0.02
    10   6    -0.02  -0.01   0.02    -0.08   0.00  -0.01    -0.00  -0.01  -0.00
    11   6    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.04  -0.03  -0.00
    12   6     0.02  -0.01  -0.00    -0.01  -0.05  -0.01    -0.01   0.07   0.02
    13   6    -0.04   0.02   0.00    -0.02   0.02   0.00    -0.04  -0.02  -0.01
    14   6     0.01   0.01   0.03     0.07   0.01   0.01     0.01  -0.01  -0.00
    15   1    -0.16  -0.09  -0.16    -0.31  -0.15  -0.06    -0.16  -0.12  -0.04
    16   1    -0.02   0.00  -0.00     0.24  -0.05   0.01     0.43  -0.20  -0.01
    17   1     0.03  -0.10  -0.01     0.03  -0.34  -0.08    -0.07   0.66   0.15
    18   1    -0.11  -0.03  -0.03    -0.09  -0.02  -0.01    -0.39  -0.26  -0.10
    19   1     0.03   0.04  -0.08     0.41  -0.13  -0.01     0.13  -0.06  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1196.1230              1206.7034              1249.7169
 Red. masses --      1.5091                 1.3240                 1.4066
 Frc consts  --      1.2721                 1.1359                 1.2943
 IR Inten    --     43.2589                17.9918                 6.8103
 RamAct Fr= 1--     10.6818                 6.1214                12.1564
  Dep-P Fr= 1--      0.1371                 0.5658                 0.1346
  Dep-U Fr= 1--      0.2412                 0.7227                 0.2372
 Alpha2 Fr= 1--      0.1706                 0.0213                 0.1954
 Beta2  Fr= 1--      0.4294                 0.7373                 0.4806
 AlphaG Fr= 1--      0.0246                 0.0042                -0.1094
 Gamma2 Fr= 1--      0.9329                -0.2098                -1.0048
 Delta2 Fr= 1--      0.5086                -0.2698                -0.0472
 Raman1 Fr= 1--      42.727                 24.486                 48.626
 ROA1   Fr= 1--     105.830                -28.774                -97.967
 CID1   Fr= 1--       2.477                 -1.175                 -2.015
 Raman2 Fr= 1--       5.152                  8.848                  5.767
 ROA2   Fr= 1--      18.320                 -2.877                -23.737
 CID2   Fr= 1--       3.556                 -0.325                 -4.116
 Raman3 Fr= 1--      10.304                 17.695                 11.533
 ROA3   Fr= 1--     105.830                -28.774                -97.967
 CID3   Fr= 1--      10.270                 -1.626                 -8.494
 RC180  Fr= 1--      -0.518                  0.445                 -0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.04   0.02     0.02   0.03  -0.01    -0.02   0.01   0.02
     2   6    -0.05  -0.00  -0.04     0.03  -0.00   0.02     0.05  -0.03  -0.02
     3   1    -0.07   0.56  -0.19     0.05  -0.37   0.12    -0.05   0.42  -0.12
     4   1     0.06  -0.04  -0.04    -0.06   0.04   0.01     0.75  -0.18  -0.06
     5   6     0.01   0.01   0.02    -0.00  -0.01  -0.01    -0.01   0.03   0.03
     6   6     0.17   0.03   0.03    -0.10  -0.02  -0.02    -0.12   0.07  -0.01
     7   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.03   0.01  -0.10
     8   1     0.02  -0.01  -0.05    -0.01  -0.00   0.02     0.01  -0.06  -0.02
     9   1    -0.07  -0.04   0.09     0.03   0.01  -0.04    -0.01  -0.07   0.12
    10   6    -0.01  -0.02  -0.01    -0.05  -0.02  -0.01    -0.04  -0.04  -0.01
    11   6    -0.02  -0.06  -0.02     0.07   0.00   0.01     0.05   0.01   0.01
    12   6     0.02  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02   0.00
    13   6    -0.02   0.05   0.01     0.06   0.01   0.01     0.01  -0.04  -0.01
    14   6    -0.01   0.01   0.00    -0.06   0.02   0.00    -0.00  -0.03  -0.01
    15   1    -0.40  -0.31  -0.10    -0.26  -0.17  -0.07    -0.02  -0.02  -0.02
    16   1     0.05  -0.09  -0.02     0.52  -0.20   0.00     0.04   0.02   0.01
    17   1     0.03  -0.07  -0.01    -0.01   0.04   0.01     0.01  -0.07  -0.01
    18   1     0.16   0.18   0.06     0.43   0.25   0.11     0.20   0.08   0.04
    19   1    -0.44   0.21   0.02    -0.34   0.14   0.00     0.24  -0.15  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1343.1258              1357.5819              1360.9025
 Red. masses --      3.6152                 1.3240                 1.3670
 Frc consts  --      3.8425                 1.4377                 1.4917
 IR Inten    --      2.7694                10.5122                 9.9445
 RamAct Fr= 1--      1.4350                 7.9761                 2.2362
  Dep-P Fr= 1--      0.4525                 0.4105                 0.2716
  Dep-U Fr= 1--      0.6230                 0.5821                 0.4272
 Alpha2 Fr= 1--      0.0087                 0.0569                 0.0249
 Beta2  Fr= 1--      0.1490                 0.7738                 0.1592
 AlphaG Fr= 1--      0.0256                -0.0175                 0.0004
 Gamma2 Fr= 1--     -0.6724                -2.3783                 1.0071
 Delta2 Fr= 1--     -0.5175                 0.4348                -0.4361
 Raman1 Fr= 1--       5.740                 31.904                  8.945
 ROA1   Fr= 1--     -81.108               -214.403                 82.724
 CID1   Fr= 1--     -14.131                 -6.720                  9.248
 Raman2 Fr= 1--       1.788                  9.285                  1.911
 ROA2   Fr= 1--     -11.997                -60.558                 27.659
 CID2   Fr= 1--      -6.710                 -6.522                 14.477
 Raman3 Fr= 1--       3.576                 18.571                  3.821
 ROA3   Fr= 1--     -81.108               -214.403                 82.724
 CID3   Fr= 1--     -22.681                -11.545                 21.649
 RC180  Fr= 1--       0.246                  0.164                 -0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.03  -0.00     0.00  -0.01  -0.02     0.02   0.01  -0.01
     2   6    -0.05   0.00  -0.03    -0.04  -0.08   0.07    -0.04  -0.04   0.02
     3   1     0.05  -0.36   0.11     0.01  -0.07   0.02     0.03  -0.20   0.06
     4   1    -0.39  -0.31   0.33     0.08   0.65  -0.63    -0.06   0.17  -0.17
     5   6     0.01  -0.02  -0.02     0.02   0.06   0.03     0.02   0.01   0.01
     6   6     0.02   0.24   0.07     0.01   0.02  -0.01     0.01   0.08   0.02
     7   1    -0.06  -0.03   0.06    -0.04  -0.02  -0.13    -0.04  -0.02  -0.04
     8   1    -0.01   0.01   0.04     0.06  -0.09  -0.14     0.02  -0.02  -0.04
     9   1     0.00   0.05  -0.09    -0.04  -0.04   0.12    -0.04   0.01   0.02
    10   6    -0.12  -0.09  -0.03    -0.04  -0.02  -0.01     0.09   0.04   0.02
    11   6     0.16  -0.10  -0.01     0.03  -0.01   0.00    -0.00  -0.02  -0.01
    12   6    -0.02   0.17   0.04    -0.01   0.05   0.01     0.01  -0.07  -0.02
    13   6    -0.16  -0.10  -0.04    -0.03  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.17  -0.08  -0.01     0.05  -0.02   0.00    -0.08   0.01  -0.00
    15   1    -0.08  -0.06  -0.02     0.13   0.10   0.03    -0.43  -0.33  -0.11
    16   1    -0.35   0.12  -0.01     0.02  -0.01  -0.00    -0.33   0.12  -0.01
    17   1     0.02  -0.16  -0.04     0.01  -0.09  -0.02    -0.03   0.29   0.07
    18   1     0.21   0.15   0.07    -0.05  -0.02  -0.01     0.24   0.15   0.06
    19   1    -0.04   0.02   0.01    -0.14   0.08  -0.01     0.45  -0.22  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1403.8523              1418.7476              1487.4354
 Red. masses --      1.2685                 1.4787                 1.3616
 Frc consts  --      1.4729                 1.7536                 1.7749
 IR Inten    --     12.5040                11.8986                15.9115
 RamAct Fr= 1--      1.1009                 3.3382                 2.1636
  Dep-P Fr= 1--      0.5235                 0.3033                 0.7489
  Dep-U Fr= 1--      0.6873                 0.4654                 0.8564
 Alpha2 Fr= 1--      0.0048                 0.0339                 0.0000
 Beta2  Fr= 1--      0.1261                 0.2589                 0.3088
 AlphaG Fr= 1--      0.0038                 0.0177                -0.0003
 Gamma2 Fr= 1--     -0.0427                 0.7436                 1.7469
 Delta2 Fr= 1--     -0.0549                 0.4582                -0.9624
 Raman1 Fr= 1--       4.404                 13.353                  8.655
 ROA1   Fr= 1--      -5.853                 86.045                136.910
 CID1   Fr= 1--      -1.329                  6.444                 15.819
 Raman2 Fr= 1--       1.513                  3.107                  3.706
 ROA2   Fr= 1--      -0.585                 14.180                 49.626
 CID2   Fr= 1--      -0.386                  4.564                 13.391
 Raman3 Fr= 1--       3.027                  6.214                  7.412
 ROA3   Fr= 1--      -5.853                 86.045                136.910
 CID3   Fr= 1--      -1.934                 13.846                 18.472
 RC180  Fr= 1--       0.375                 -0.069                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.01  -0.00     0.03   0.04  -0.00     0.01   0.00  -0.00
     2   6    -0.05  -0.00   0.01    -0.17   0.01  -0.00    -0.01   0.00  -0.00
     3   1     0.02  -0.10   0.03     0.06  -0.43   0.15     0.01  -0.05   0.01
     4   1     0.17  -0.05  -0.00     0.59  -0.26   0.05    -0.08  -0.02   0.04
     5   6     0.07   0.04  -0.12     0.05  -0.02   0.04    -0.02   0.04   0.01
     6   6     0.01  -0.00  -0.01     0.05  -0.00  -0.01    -0.01   0.08   0.02
     7   1    -0.35   0.02   0.46    -0.09  -0.16  -0.26    -0.25  -0.02   0.20
     8   1     0.01  -0.15   0.50     0.03   0.08  -0.10     0.08  -0.49  -0.28
     9   1    -0.30  -0.35   0.34    -0.18   0.27  -0.18     0.52  -0.08  -0.03
    10   6     0.00  -0.00   0.00     0.02   0.01   0.01     0.06  -0.02   0.00
    11   6    -0.01   0.00   0.00    -0.04  -0.00  -0.00    -0.07  -0.02  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.06   0.01
    13   6     0.01   0.01   0.00     0.02   0.03   0.01     0.08   0.01   0.01
    14   6    -0.00  -0.00   0.00     0.01  -0.02  -0.00    -0.04  -0.04  -0.01
    15   1     0.02   0.01  -0.01    -0.02  -0.03  -0.02    -0.08  -0.12  -0.03
    16   1     0.02  -0.01  -0.00     0.05  -0.05  -0.01     0.15  -0.12  -0.02
    17   1     0.00  -0.02  -0.01     0.01  -0.10  -0.02     0.03  -0.33  -0.08
    18   1    -0.03  -0.02  -0.01    -0.15  -0.08  -0.04    -0.17  -0.17  -0.06
    19   1    -0.01   0.01  -0.01    -0.12   0.04  -0.01     0.04  -0.08  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.9070              1497.1900              1536.1089
 Red. masses --      1.2745                 1.2342                 2.2488
 Frc consts  --      1.6691                 1.6300                 3.1264
 IR Inten    --      1.8942                 1.6597                 9.5742
 RamAct Fr= 1--      6.5677                 3.4924                 0.4140
  Dep-P Fr= 1--      0.6529                 0.5098                 0.5260
  Dep-U Fr= 1--      0.7900                 0.6753                 0.6894
 Alpha2 Fr= 1--      0.0114                 0.0165                 0.0018
 Beta2  Fr= 1--      0.8648                 0.3931                 0.0476
 AlphaG Fr= 1--      0.0462                -0.0152                 0.0054
 Gamma2 Fr= 1--      2.9562                -3.2355                 0.0142
 Delta2 Fr= 1--     -0.4918                 0.3515                 0.0192
 Raman1 Fr= 1--      26.271                 13.970                  1.656
 ROA1   Fr= 1--     268.061               -299.360                  1.977
 CID1   Fr= 1--      10.204                -21.430                  1.194
 Raman2 Fr= 1--      10.377                  4.717                  0.571
 ROA2   Fr= 1--      74.884                -80.464                  0.188
 CID2   Fr= 1--       7.216                -17.059                  0.329
 Raman3 Fr= 1--      20.754                  9.434                  1.141
 ROA3   Fr= 1--     268.061               -299.360                  1.977
 CID3   Fr= 1--      12.916                -31.734                  1.732
 RC180  Fr= 1--       0.580                  0.351                  0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.01  -0.00
     2   6    -0.01  -0.04  -0.01    -0.07   0.02  -0.00    -0.05  -0.00  -0.00
     3   1     0.01  -0.06   0.02     0.02  -0.13   0.04     0.01  -0.07   0.02
     4   1    -0.04   0.03  -0.06     0.25  -0.09   0.00     0.01  -0.03   0.00
     5   6    -0.01  -0.04  -0.02    -0.04   0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.01   0.07   0.02     0.01  -0.05  -0.02     0.14   0.02   0.02
     7   1     0.50   0.25   0.11     0.24   0.24   0.40     0.05   0.05   0.08
     8   1    -0.08   0.58  -0.02     0.01   0.06  -0.42     0.00   0.02  -0.12
     9   1    -0.20  -0.21   0.20     0.43  -0.33   0.19     0.10  -0.06   0.03
    10   6     0.05  -0.01   0.00    -0.02   0.03   0.01    -0.05  -0.10  -0.03
    11   6    -0.05  -0.02  -0.01     0.05  -0.00   0.00    -0.13   0.09   0.01
    12   6    -0.01   0.06   0.01    -0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6     0.06   0.00   0.01    -0.04   0.02   0.00    -0.10  -0.11  -0.04
    14   6    -0.03  -0.03  -0.01     0.05   0.01   0.01    -0.07   0.09   0.01
    15   1    -0.06  -0.10  -0.03    -0.02   0.04   0.01     0.37   0.18   0.07
    16   1     0.11  -0.10  -0.01    -0.15   0.09   0.01     0.46  -0.16   0.01
    17   1     0.03  -0.28  -0.06    -0.03   0.21   0.05     0.13  -0.00   0.01
    18   1    -0.13  -0.14  -0.05     0.03   0.07   0.02     0.40   0.22   0.10
    19   1     0.03  -0.07  -0.01    -0.12   0.08   0.01     0.42  -0.12   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1631.1214              1652.1882              2977.4202
 Red. masses --      5.6125                 5.5688                 1.0833
 Frc consts  --      8.7979                 8.9563                 5.6584
 IR Inten    --      0.5345                 3.6393                39.9009
 RamAct Fr= 1--      7.5014                31.7985               103.2194
  Dep-P Fr= 1--      0.7237                 0.6289                 0.2299
  Dep-U Fr= 1--      0.8397                 0.7722                 0.3739
 Alpha2 Fr= 1--      0.0034                 0.0700                 1.2933
 Beta2  Fr= 1--      1.0499                 4.0925                 6.4318
 AlphaG Fr= 1--      0.0239                 0.0304                 1.4824
 Gamma2 Fr= 1--     -0.7117                 0.5828                10.0647
 Delta2 Fr= 1--      0.0393                -0.1567                 4.1634
 Raman1 Fr= 1--      30.006                127.194                412.878
 ROA1   Fr= 1--     -67.068                 50.932               1099.439
 CID1   Fr= 1--      -2.235                  0.400                  2.663
 Raman2 Fr= 1--      12.598                 49.110                 77.182
 ROA2   Fr= 1--     -17.396                 15.240                208.245
 CID2   Fr= 1--      -1.381                  0.310                  2.698
 Raman3 Fr= 1--      25.197                 98.221                154.363
 ROA3   Fr= 1--     -67.068                 50.932               1099.439
 CID3   Fr= 1--      -2.662                  0.519                  7.122
 RC180  Fr= 1--       0.679                  0.544                 -0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.01   0.04   0.01     0.04   0.00   0.01    -0.02  -0.05  -0.06
     3   1    -0.01   0.03  -0.01    -0.00   0.04  -0.01     0.00  -0.00   0.00
     4   1     0.20  -0.03   0.00     0.00   0.03  -0.02     0.18   0.66   0.72
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.02  -0.30  -0.07    -0.23  -0.01  -0.02     0.00  -0.00  -0.00
     7   1    -0.01  -0.00   0.02    -0.02  -0.01  -0.01     0.02  -0.03   0.01
     8   1     0.00  -0.01  -0.02    -0.00  -0.01   0.05    -0.07  -0.01  -0.01
     9   1     0.01   0.00  -0.00    -0.03   0.00   0.00    -0.01  -0.04  -0.04
    10   6     0.09   0.20   0.06     0.28   0.10   0.05     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.04    -0.27   0.05  -0.01     0.00  -0.00  -0.00
    12   6    -0.03   0.35   0.08     0.14  -0.01   0.01     0.00   0.00   0.00
    13   6    -0.06  -0.21  -0.06    -0.26  -0.08  -0.05    -0.00  -0.00   0.00
    14   6    -0.11   0.17   0.03     0.31  -0.07   0.01     0.00   0.00   0.00
    15   1    -0.30  -0.06  -0.04    -0.27  -0.29  -0.09    -0.00   0.00   0.00
    16   1    -0.23  -0.07  -0.04     0.26  -0.19  -0.02     0.00   0.00   0.00
    17   1     0.06  -0.47  -0.11     0.14   0.04   0.03     0.00   0.00  -0.00
    18   1     0.26  -0.01   0.02     0.19   0.24   0.08    -0.00   0.00  -0.00
    19   1     0.29   0.01   0.03    -0.36   0.23   0.03    -0.01  -0.01  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3022.6500              3088.7265              3111.4041
 Red. masses --      1.0384                 1.0970                 1.1026
 Frc consts  --      5.5896                 6.1663                 6.2887
 IR Inten    --     34.0758                32.9505                16.6192
 RamAct Fr= 1--    231.6675                81.2371                34.3539
  Dep-P Fr= 1--      0.0663                 0.7491                 0.7123
  Dep-U Fr= 1--      0.1244                 0.8565                 0.8320
 Alpha2 Fr= 1--      4.4011                 0.0013                 0.0224
 Beta2  Fr= 1--      4.8027                11.5971                 4.7635
 AlphaG Fr= 1--     -0.2812                -0.0014                -0.0504
 Gamma2 Fr= 1--     -0.0015                -2.4757                -1.9485
 Delta2 Fr= 1--      0.1357                -0.1378                -2.4795
 Raman1 Fr= 1--     926.670                324.949                137.416
 ROA1   Fr= 1--       4.199               -242.075               -266.401
 CID1   Fr= 1--       0.005                 -0.745                 -1.939
 Raman2 Fr= 1--      57.632                139.166                 57.162
 ROA2   Fr= 1--      -1.122                -58.314                -26.928
 CID2   Fr= 1--      -0.019                 -0.419                 -0.471
 Raman3 Fr= 1--     115.264                278.331                114.323
 ROA3   Fr= 1--       4.199               -242.075               -266.401
 CID3   Fr= 1--       0.036                 -0.870                 -2.330
 RC180  Fr= 1--      -0.751                  0.713                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
     3   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   1     0.01   0.02   0.03     0.01   0.03   0.04     0.01   0.05   0.06
     5   6    -0.04  -0.01   0.03    -0.08   0.01  -0.05     0.01  -0.09  -0.03
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.18   0.37  -0.11     0.22  -0.51   0.14    -0.29   0.61  -0.19
     8   1     0.76   0.09   0.09     0.61   0.08   0.06     0.04  -0.01  -0.00
     9   1    -0.09  -0.32  -0.34     0.08   0.36   0.38     0.13   0.46   0.51
    10   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3155.9405              3168.7983              3179.3961
 Red. masses --      1.0869                 1.0866                 1.0913
 Frc consts  --      6.3782                 6.4283                 6.4994
 IR Inten    --      8.9638                 0.6342                22.8144
 RamAct Fr= 1--     54.0020               102.2859                79.5385
  Dep-P Fr= 1--      0.4539                 0.6039                 0.7305
  Dep-U Fr= 1--      0.6244                 0.7530                 0.8443
 Alpha2 Fr= 1--      0.3259                 0.2761                 0.0266
 Beta2  Fr= 1--      5.6197                12.8375                11.1918
 AlphaG Fr= 1--     -0.1529                -0.0518                -0.0320
 Gamma2 Fr= 1--     -0.7274                 0.8538                -0.7746
 Delta2 Fr= 1--      0.4848                 0.5098                 0.6335
 Raman1 Fr= 1--     216.008                409.144                318.154
 ROA1   Fr= 1--     -54.320                 98.279                -54.095
 CID1   Fr= 1--      -0.251                  0.240                 -0.170
 Raman2 Fr= 1--      67.436                154.049                134.301
 ROA2   Fr= 1--     -21.336                 16.414                -23.659
 CID2   Fr= 1--      -0.316                  0.107                 -0.176
 Raman3 Fr= 1--     134.873                308.099                268.603
 ROA3   Fr= 1--     -54.320                 98.279                -54.095
 CID3   Fr= 1--      -0.403                  0.319                 -0.201
 RC180  Fr= 1--       0.249                  0.506                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    11   6    -0.00  -0.01  -0.00     0.02   0.05   0.01    -0.02  -0.05  -0.01
    12   6     0.01   0.00   0.00    -0.05  -0.01  -0.01    -0.02   0.00  -0.00
    13   6    -0.02   0.03   0.01     0.01  -0.02  -0.00     0.04  -0.05  -0.01
    14   6    -0.03  -0.07  -0.02    -0.01  -0.02  -0.01    -0.01  -0.02  -0.01
    15   1     0.01  -0.02  -0.00    -0.09   0.12   0.02     0.09  -0.13  -0.02
    16   1     0.04   0.09   0.02    -0.27  -0.59  -0.17     0.24   0.53   0.15
    17   1    -0.15  -0.01  -0.02     0.61   0.05   0.07     0.28   0.02   0.03
    18   1     0.22  -0.31  -0.06    -0.15   0.20   0.04    -0.40   0.54   0.10
    19   1     0.35   0.79   0.24     0.11   0.25   0.08     0.11   0.23   0.07
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.2772              3207.3527              3808.5397
 Red. masses --      1.0959                 1.0925                 1.0662
 Frc consts  --      6.5802                 6.6217                 9.1121
 IR Inten    --     19.4512                 4.1515                22.9054
 RamAct Fr= 1--    225.0391               135.2396               124.7014
  Dep-P Fr= 1--      0.1066                 0.1305                 0.2367
  Dep-U Fr= 1--      0.1926                 0.2308                 0.3829
 Alpha2 Fr= 1--      3.8770                 2.1961                 1.5334
 Beta2  Fr= 1--      7.2246                 5.2023                 7.9571
 AlphaG Fr= 1--     -0.2807                 0.2269                 0.1142
 Gamma2 Fr= 1--     -0.5985                 0.9579                 2.1630
 Delta2 Fr= 1--     -3.0350                 1.4598                -0.7861
 Raman1 Fr= 1--     900.156                540.958                498.806
 ROA1   Fr= 1--    -154.573                138.672                182.496
 CID1   Fr= 1--      -0.172                  0.256                  0.366
 Raman2 Fr= 1--      86.696                 62.428                 95.485
 ROA2   Fr= 1--       9.917                 11.311                 58.201
 CID2   Fr= 1--       0.114                  0.181                  0.610
 Raman3 Fr= 1--     173.391                124.856                190.970
 ROA3   Fr= 1--    -154.573                138.672                182.496
 CID3   Fr= 1--      -0.891                  1.111                  0.956
 RC180  Fr= 1--      -0.615                 -0.538                 -0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.99   0.06  -0.06
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.01   0.01   0.00     0.05  -0.07  -0.01     0.00   0.00   0.00
    11   6    -0.01  -0.03  -0.01    -0.01  -0.02  -0.01     0.00  -0.00  -0.00
    12   6    -0.06  -0.01  -0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.03   0.04   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.13  -0.17  -0.03    -0.56   0.76   0.12     0.00   0.00   0.00
    16   1     0.12   0.28   0.08     0.11   0.25   0.07     0.00   0.00   0.00
    17   1     0.70   0.06   0.08     0.11   0.01   0.01     0.00   0.00   0.00
    18   1     0.33  -0.45  -0.08     0.03  -0.05  -0.01     0.00  -0.00   0.00
    19   1    -0.07  -0.14  -0.04    -0.00  -0.01  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   519.290171584.083771862.35835
           X            0.99982   0.01579  -0.01030
           Y           -0.01559   0.99970   0.01900
           Z            0.01059  -0.01883   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16679     0.05468     0.04651
 Rotational constants (GHZ):           3.47540     1.13930     0.96906
 Zero-point vibrational energy     421954.3 (Joules/Mol)
                                  100.84950 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     48.29   189.40   313.64   371.47   391.60
          (Kelvin)            442.97   541.06   595.40   693.57   782.85
                              881.23   918.20  1027.42  1110.51  1120.71
                             1236.81  1304.89  1334.98  1386.96  1417.03
                             1467.78  1477.10  1517.35  1569.60  1577.60
                             1628.10  1703.97  1720.95  1736.18  1798.06
                             1932.46  1953.26  1958.04  2019.83  2041.26
                             2140.09  2145.08  2154.12  2210.12  2346.82
                             2377.13  4283.84  4348.92  4443.99  4476.62
                             4540.69  4559.19  4574.44  4592.97  4614.67
                             5479.64
 
 Zero-point correction=                           0.160714 (Hartree/Particle)
 Thermal correction to Energy=                    0.169146
 Thermal correction to Enthalpy=                  0.170090
 Thermal correction to Gibbs Free Energy=         0.127121
 Sum of electronic and zero-point Energies=           -386.115587
 Sum of electronic and thermal Energies=              -386.107154
 Sum of electronic and thermal Enthalpies=            -386.106210
 Sum of electronic and thermal Free Energies=         -386.149180
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.141             32.296             90.437
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.817
 Vibrational            104.363             26.335             21.307
 Vibration     1          0.594              1.983              5.607
 Vibration     2          0.612              1.922              2.922
 Vibration     3          0.646              1.814              1.976
 Vibration     4          0.667              1.749              1.674
 Vibration     5          0.675              1.725              1.582
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.747              1.521              1.055
 Vibration     8          0.777              1.440              0.913
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.899              1.153              0.557
 Vibration    11          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.337686D-58        -58.471486       -134.635573
 Total V=0       0.282951D+16         15.451712         35.578881
 Vib (Bot)       0.143767D-71        -71.842342       -165.423106
 Vib (Bot)    1  0.616772D+01          0.790125          1.819330
 Vib (Bot)    2  0.154805D+01          0.189785          0.436997
 Vib (Bot)    3  0.908166D+00         -0.041835         -0.096328
 Vib (Bot)    4  0.752963D+00         -0.123226         -0.283739
 Vib (Bot)    5  0.709277D+00         -0.149184         -0.343509
 Vib (Bot)    6  0.614928D+00         -0.211176         -0.486251
 Vib (Bot)    7  0.482117D+00         -0.316848         -0.729569
 Vib (Bot)    8  0.426305D+00         -0.370279         -0.852599
 Vib (Bot)    9  0.346331D+00         -0.460509         -1.060361
 Vib (Bot)   10  0.290049D+00         -0.537528         -1.237705
 Vib (Bot)   11  0.240656D+00         -0.618603         -1.424385
 Vib (V=0)       0.120464D+03          2.080856          4.791348
 Vib (V=0)    1  0.668796D+01          0.825294          1.900309
 Vib (V=0)    2  0.212679D+01          0.327726          0.754616
 Vib (V=0)    3  0.153671D+01          0.186592          0.429643
 Vib (V=0)    4  0.140385D+01          0.147322          0.339222
 Vib (V=0)    5  0.136780D+01          0.136022          0.313202
 Vib (V=0)    6  0.129255D+01          0.111447          0.256617
 Vib (V=0)    7  0.119458D+01          0.077214          0.177792
 Vib (V=0)    8  0.115707D+01          0.063358          0.145888
 Vib (V=0)    9  0.110823D+01          0.044630          0.102765
 Vib (V=0)   10  0.107804D+01          0.032634          0.075143
 Vib (V=0)   11  0.105490D+01          0.023212          0.053447
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.443069D+06          5.646471         13.001481
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 33333 33 32                                           11 1111111111111111111                                  
     8                 21111 10 09                                           66 54444433322111000009999 8 77 7 66 5 4  43 3222  1    
     0                 09765 18 27                                           53 39981065450983995228620 6 77 1 31 4 8  17 0751  3  3 
     9                 72996 19 37                                           21 67179418307642615705487 0 92 4 82 4 2  46 8288  2  4 
 
     X                 XXXXX XX XX                                           XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX X X  XX XXXX  X  X 
     X                  XX X XX XX                                              X  XXXXX  XX XXX      X    X X  X X        XX        
     X                  XX   XX XX                                                 X X    XX XXX      X    X X  X           X        
     X                  XX    X XX                                                        XX XXX      X    X X              X        
     X                   X    X XX                                                         X XXX           X X              X        
                              X XX                                                         X X X             X              X        
                              X XX                                                         X                 X              X        
                                 X                                                         X                 X              X        
                                                                                           X                 X              X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000017301   -0.000028225    0.000027327
      2        6          -0.000018651    0.000037003   -0.000022551
      3        1           0.000002026    0.000001570   -0.000011470
      4        1           0.000007142   -0.000007901    0.000011853
      5        6           0.000005849   -0.000005041    0.000004743
      6        6          -0.000015324    0.000016269   -0.000017094
      7        1          -0.000002483   -0.000006064    0.000003851
      8        1          -0.000011246   -0.000001754   -0.000000115
      9        1          -0.000000772    0.000001346    0.000002973
     10        6          -0.000019798   -0.000005855   -0.000006210
     11        6           0.000016556    0.000003706    0.000006219
     12        6           0.000013588    0.000016215    0.000005275
     13        6          -0.000005253   -0.000022204   -0.000003052
     14        6           0.000008027   -0.000005190    0.000002995
     15        1           0.000000034    0.000008820    0.000000151
     16        1          -0.000001129    0.000005478    0.000000307
     17        1           0.000004347   -0.000001090   -0.000000698
     18        1           0.000003096   -0.000001731   -0.000000606
     19        1          -0.000003308   -0.000005352   -0.000003901
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037003 RMS     0.000011568
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126926D+03  0.107511D+01  0.148434D+01
      2   0.107511D+01  0.102892D+03  0.652113D+01
      3   0.148434D+01  0.652113D+01  0.709480D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.115019D+01  0.350985D+01  0.689463D+01
      2   0.595811D+01  0.132762D+02 -0.140534D+01
      3  -0.650298D+01 -0.400913D+02 -0.124939D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.839103D+02  0.946117D+01  0.297895D+01
      2  -0.319869D+02 -0.140757D+02 -0.152124D+02
      3  -0.519234D+02  0.461453D+01  0.122335D+02
      4  -0.189901D+02  0.742924D+02  0.324315D+02
      5   0.292682D+02  0.337366D+02 -0.947214D+01
      6   0.127244D+02  0.959618D+01 -0.158497D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.669549D+01  0.603058D+00 -0.180350D+00  0.207247D+01 -0.210570D+01
      2   0.603058D+00  0.475792D+00  0.397836D+00 -0.210570D+01  0.346577D+01
      3  -0.180350D+00  0.397836D+00  0.186588D+00  0.114059D+01 -0.242326D+01
                 6             7             8             9            10 
      1   0.114059D+01 -0.203332D+00  0.840184D+00 -0.127772D+01  0.395468D+01
      2  -0.242326D+01  0.840184D+00 -0.716687D+00  0.132908D+01  0.126336D+01
      3   0.800676D+00 -0.127772D+01  0.132908D+01 -0.164228D+01 -0.870803D+00
                11            12            13            14            15 
      1   0.126336D+01 -0.870803D+00  0.366686D+01  0.353521D+01 -0.152544D+01
      2   0.119053D+01 -0.978613D+00  0.353521D+01  0.138782D+01  0.340427D+01
      3  -0.978613D+00  0.175689D+01 -0.152544D+01  0.340427D+01  0.364826D+01
                16            17            18            19            20 
      1  -0.423621D+01 -0.152694D+01  0.434831D+01 -0.107799D+02  0.182485D+01
      2  -0.152694D+01  0.181794D+01  0.368774D+01  0.182485D+01 -0.146996D+01
      3   0.434831D+01  0.368774D+01  0.407403D+00 -0.893605D+00  0.361158D+00
                21            22            23            24            25 
      1  -0.893605D+00  0.359183D+00 -0.790561D+00 -0.650555D-01  0.413929D+00
      2   0.361158D+00 -0.790561D+00  0.537578D+00  0.773239D-02 -0.116630D+00
      3  -0.114969D+01 -0.650555D-01  0.773239D-02  0.167572D+00 -0.736280D+00
                26            27            28            29            30 
      1  -0.116630D+00 -0.736280D+00 -0.830816D+00 -0.127617D+01 -0.125069D+01
      2   0.104520D+00  0.252069D+00 -0.127617D+01 -0.851749D+00 -0.403520D+00
      3   0.252069D+00 -0.366739D+00 -0.125069D+01 -0.403520D+00 -0.122259D+01
                31            32            33            34            35 
      1  -0.303813D+01 -0.169493D+01 -0.721515D+00 -0.187358D+01 -0.696295D+00
      2  -0.169493D+01 -0.393924D+01 -0.254765D+01 -0.696295D+00 -0.235740D+01
      3  -0.721515D+00 -0.254765D+01 -0.288777D+01 -0.193888D+01 -0.263978D+01
                36            37            38            39            40 
      1  -0.193888D+01  0.963614D+01  0.163283D+01  0.609406D+00  0.336762D-01
      2  -0.263978D+01  0.163283D+01 -0.208077D+01  0.803252D+00 -0.249976D+01
      3  -0.456305D+01  0.609406D+00  0.803252D+00 -0.210857D+01  0.161002D+01
                41            42            43            44            45 
      1  -0.249976D+01  0.161002D+01  0.536513D+01  0.201698D+01 -0.350490D+01
      2   0.220485D+01 -0.275894D+01  0.201698D+01 -0.188082D+01 -0.317616D+01
      3  -0.275894D+01 -0.309076D+01 -0.350490D+01 -0.317616D+01 -0.141483D+00
                46            47            48            49            50 
      1  -0.163799D+02 -0.252971D+01  0.192291D+00 -0.315828D+01  0.101667D+01
      2  -0.252971D+01 -0.282954D+01 -0.154502D-01  0.101667D+01  0.390211D-02
      3   0.192291D+00 -0.154502D-01 -0.170567D+01  0.128953D+01 -0.340933D+00
                51            52            53            54            55 
      1   0.128953D+01 -0.895581D+00  0.124621D+01 -0.359717D+01  0.106018D+00
      2  -0.340933D+00  0.124621D+01 -0.411323D+00 -0.699772D+00 -0.119229D+01
      3  -0.286865D+00 -0.359717D+01 -0.699772D+00 -0.908324D+00  0.298806D+00
                56            57            58            59            60 
      1  -0.119229D+01  0.298806D+00 -0.179893D+01  0.603261D+00 -0.109076D+00
      2   0.144426D+01 -0.641068D+00  0.603261D+00 -0.606665D+01  0.232922D+01
      3  -0.641068D+00  0.100547D+01 -0.109076D+00  0.232922D+01 -0.182511D+01
                61            62            63            64            65 
      1   0.943662D-01 -0.321464D+00  0.422468D+00 -0.140129D+02 -0.215840D+01
      2  -0.321464D+00  0.169679D+01 -0.133108D+01 -0.215840D+01 -0.130338D+01
      3   0.422468D+00 -0.133108D+01  0.165953D+01  0.107128D+01  0.320212D+00
                66            67            68            69            70 
      1   0.107128D+01 -0.156705D+01 -0.156248D+01  0.107881D-01 -0.128032D+01
      2   0.320212D+00 -0.156248D+01 -0.102491D+01  0.439265D+00 -0.284689D+00
      3  -0.143845D+01  0.107881D-01  0.439265D+00  0.159104D-01 -0.104199D+01
                71            72            73            74            75 
      1  -0.284689D+00 -0.104199D+01 -0.411605D+00  0.503374D+00  0.611134D+00
      2  -0.885098D-01  0.779060D-01  0.503374D+00  0.484154D+00 -0.105219D-01
      3   0.779060D-01 -0.115022D+00  0.611134D+00 -0.105219D-01  0.968561D+00
                76            77            78            79            80 
      1   0.142950D+01  0.185922D+00 -0.631785D+00  0.880390D+00 -0.214221D+00
      2   0.185922D+00  0.206818D+01  0.197113D+01 -0.214221D+00  0.176576D+01
      3  -0.631785D+00  0.197113D+01  0.318079D+01 -0.223082D+00  0.177879D+01
                81            82            83            84            85 
      1  -0.223082D+00  0.323727D+01 -0.764844D+00  0.106550D+00  0.750107D+01
      2   0.177879D+01 -0.764844D+00 -0.279296D+01 -0.672323D+00  0.312693D+00
      3   0.507985D+01  0.106550D+00 -0.672323D+00 -0.176186D+01  0.124481D+00
                86            87            88            89            90 
      1   0.312693D+00  0.124481D+00  0.279594D+01 -0.253836D+00 -0.177911D+01
      2   0.166681D+01 -0.777272D+00 -0.253836D+00 -0.173902D+01  0.301812D+01
      3  -0.777272D+00  0.160978D+01 -0.177911D+01  0.301812D+01  0.109964D+01
                91            92            93            94            95 
      1  -0.312710D+01 -0.303451D+00 -0.215721D+00  0.442474D+01 -0.597208D-02
      2  -0.303451D+00  0.233772D+01 -0.389909D+00 -0.597208D-02  0.986569D+00
      3  -0.215721D+00 -0.389909D+00  0.738315D+00 -0.405791D+00 -0.103592D+01
                96            97            98            99           100 
      1  -0.405791D+00  0.409421D+00 -0.905811D+00  0.179495D+01  0.471930D+01
      2  -0.103592D+01 -0.905811D+00 -0.132684D+01  0.315428D+01  0.362197D+00
      3   0.150195D+01  0.179495D+01  0.315428D+01  0.274802D+01 -0.659472D+00
               101           102           103           104           105 
      1   0.362197D+00 -0.659472D+00  0.108096D+01 -0.529878D-01 -0.126699D+01
      2   0.311021D+01  0.123450D+00 -0.529878D-01  0.427889D+00 -0.559055D+00
      3   0.123450D+00  0.248858D+01 -0.126699D+01 -0.559055D+00 -0.868774D-01
               106           107           108           109           110 
      1  -0.824463D-01 -0.129895D+01  0.489388D+01 -0.231623D+01 -0.584073D+00
      2  -0.129895D+01  0.172442D+00  0.335588D+00 -0.584073D+00  0.193559D+01
      3   0.489388D+01  0.335588D+00  0.914752D+00 -0.401474D+00  0.797489D+00
               111           112           113           114           115 
      1  -0.401474D+00 -0.494776D+01 -0.862511D+00 -0.102019D+01 -0.176191D+01
      2   0.797489D+00 -0.862511D+00 -0.110619D+01  0.123280D+01 -0.636793D+00
      3   0.173727D+01 -0.102019D+01  0.123280D+01 -0.152524D+01  0.261212D+01
               116           117           118           119           120 
      1  -0.636793D+00  0.261212D+01  0.424237D+01  0.228368D+01  0.583387D+00
      2   0.190674D+01 -0.275376D+01  0.228368D+01 -0.205712D+01 -0.282686D-01
      3  -0.275376D+01 -0.121272D+01  0.583387D+00 -0.282686D-01 -0.973024D+00
               121           122           123           124           125 
      1  -0.636035D+01 -0.775923D+00  0.380382D+00 -0.394893D+00  0.107954D+01
      2  -0.775923D+00 -0.158538D+01  0.120388D+01  0.107954D+01  0.110221D+01
      3   0.380382D+00  0.120388D+01 -0.122573D+01 -0.603225D+00 -0.286971D+01
               126           127           128           129           130 
      1  -0.603225D+00 -0.324089D+01  0.224049D+01  0.198191D+00  0.230744D+01
      2  -0.286971D+01  0.224049D+01 -0.275592D+01 -0.249302D+00 -0.279931D+01
      3  -0.299902D+01  0.198191D+00 -0.249302D+00 -0.450054D+00 -0.485063D+00
               131           132           133           134           135 
      1  -0.279931D+01 -0.485063D+00  0.793140D-01 -0.391829D+00 -0.104078D+00
      2   0.619547D+01  0.869380D+00 -0.391829D+00  0.120220D+01  0.322508D+00
      3   0.869380D+00  0.955796D+00 -0.104078D+00  0.322508D+00  0.199742D+00
               136           137           138           139           140 
      1   0.246543D+01  0.270280D+01  0.797495D+00  0.234800D+01  0.370405D+01
      2   0.270280D+01  0.287197D+01  0.770574D+00  0.370405D+01  0.892256D+01
      3   0.797495D+00  0.770574D+00  0.626132D+00  0.954384D+00  0.210058D+01
               141           142           143           144           145 
      1   0.954384D+00  0.758402D+00  0.115499D+01  0.388403D+00  0.132611D+02
      2   0.210058D+01  0.115499D+01  0.238962D+01  0.768933D+00  0.926400D+00
      3   0.146941D+01  0.388403D+00  0.768933D+00  0.519535D+00  0.122718D+01
               146           147           148           149           150 
      1   0.926400D+00  0.122718D+01  0.745763D+00  0.160758D+01  0.428560D+00
      2   0.861789D+00  0.327125D-01  0.160758D+01  0.352934D+00  0.179952D+00
      3   0.327125D-01  0.113770D+01  0.428560D+00  0.179952D+00  0.140892D+00
               151           152           153           154           155 
      1   0.133856D+01  0.440687D+00  0.315994D+00  0.456794D+01 -0.368546D+01
      2   0.440687D+00  0.120175D+00  0.277288D-01 -0.368546D+01  0.349545D+01
      3   0.315994D+00  0.277288D-01  0.224574D+00 -0.627307D+00  0.461885D+00
               156           157           158           159           160 
      1  -0.627307D+00 -0.352682D+01  0.432600D+01  0.907375D+00 -0.615161D+00
      2   0.461885D+00  0.432600D+01 -0.678629D+01 -0.117803D+01  0.751225D+00
      3   0.673047D+00  0.907375D+00 -0.117803D+01 -0.105495D+01  0.261220D+00
               161           162           163           164           165 
      1   0.751225D+00  0.261220D+00 -0.178632D+01 -0.184864D+01 -0.596297D+00
      2  -0.143924D+01 -0.452970D+00 -0.184864D+01 -0.206606D+01 -0.679593D+00
      3  -0.452970D+00 -0.287078D+00 -0.596297D+00 -0.679593D+00 -0.508620D+00
               166           167           168           169           170 
      1  -0.157235D+01 -0.214125D+01 -0.615207D+00 -0.792014D+00 -0.882354D+00
      2  -0.214125D+01 -0.771168D+01 -0.211715D+01 -0.882354D+00 -0.231856D+01
      3  -0.615207D+00 -0.211715D+01 -0.150774D+01 -0.230893D+00 -0.829520D+00
               171 
      1  -0.230893D+00
      2  -0.829520D+00
      3  -0.617337D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.343454D+00  0.705026D+00  0.965110D+00  0.998029D-01 -0.372507D+01
      2   0.568083D+01 -0.653784D+00  0.192609D+01  0.448201D+00  0.329080D+01
      3   0.136317D+02 -0.439736D+01  0.134136D+01  0.195433D+01  0.108674D+02
                 6             7             8             9            10 
      1  -0.423843D+01 -0.207873D+01  0.366601D+01  0.498622D+00 -0.134919D+01
      2  -0.293141D+01 -0.280647D+01 -0.960244D+00  0.315602D+01  0.242666D+01
      3  -0.510347D+01  0.402879D+00 -0.197031D+01  0.320183D+01  0.185698D+01
                11            12            13            14            15 
      1  -0.457492D+00 -0.184774D-01  0.767352D+00  0.240765D+01  0.887702D+00
      2   0.142521D+01 -0.161682D+01  0.264006D+01 -0.568543D+01 -0.585462D+01
      3   0.614386D+00 -0.113410D+00  0.116427D+02 -0.213103D+01  0.774039D+01
                16            17            18            19            20 
      1   0.448697D+01  0.489067D+01 -0.147109D+01 -0.596925D+00  0.760644D+00
      2  -0.149116D+02 -0.866086D+01 -0.436580D+00 -0.594987D+01  0.319126D+00
      3  -0.876035D+00  0.656100D+01  0.566030D+01 -0.833621D+01 -0.351152D+01
                21            22            23            24            25 
      1   0.693377D+00  0.405693D+00 -0.949076D-01 -0.526820D+00  0.519371D+00
      2   0.413052D+01 -0.790755D-01 -0.806259D+00  0.202633D-01  0.127253D+01
      3   0.167394D+00 -0.112839D+01  0.249720D+00  0.391339D+00  0.316865D+00
                26            27            28            29            30 
      1   0.129020D+00 -0.322636D+00 -0.727474D+00  0.105832D+00 -0.995312D+00
      2  -0.405460D+00  0.607278D-01  0.167701D+01  0.270408D+00  0.233759D+01
      3   0.400086D+00 -0.261533D+00 -0.299442D+01 -0.240964D+01 -0.926623D-01
                31            32            33            34            35 
      1  -0.171724D+00  0.144050D+01 -0.237009D+01 -0.126061D+01  0.112329D+01
      2  -0.592866D+00  0.442012D+01  0.540295D+01  0.353138D+00  0.415271D+01
      3   0.475048D+00 -0.757242D+01 -0.530068D+01  0.663313D+00 -0.492015D+01
                36            37            38            39            40 
      1  -0.247967D+01  0.342236D+01 -0.314883D+01 -0.150824D+01  0.118997D-01
      2   0.739776D+01 -0.127074D+02 -0.443594D+01  0.837202D+01 -0.600194D+01
      3  -0.456506D+01 -0.352469D+01 -0.108810D+02  0.942286D+00 -0.435028D+01
                41            42            43            44            45 
      1   0.191460D+01 -0.102660D+02 -0.164292D+01 -0.473260D+01 -0.307794D+01
      2   0.992882D+01  0.636154D+01  0.514359D+01  0.712320D+01  0.377619D+01
      3   0.102984D+02 -0.104345D+02  0.148863D+01 -0.945671D+01 -0.567860D+01
                46            47            48            49            50 
      1  -0.378501D+00 -0.141137D+00 -0.205572D+00 -0.231349D+01 -0.339435D+01
      2  -0.272149D+01 -0.128835D+01 -0.139421D+01 -0.133589D+01  0.721788D+00
      3  -0.316117D+01  0.553682D+01  0.904130D+00  0.147291D+02  0.151551D+01
                51            52            53            54            55 
      1   0.121011D+01 -0.577665D-01  0.871087D+01  0.241521D+01 -0.158778D+01
      2   0.746828D+00 -0.125105D+02  0.127042D+00  0.101497D+01 -0.217610D+01
      3  -0.139674D+01  0.324618D+00  0.111076D+01  0.332769D-02 -0.502733D+01
                56            57            58            59            60 
      1   0.195813D+01  0.101512D+01  0.134208D+01 -0.579314D+01 -0.785754D+00
      2   0.257813D+01 -0.193068D+01  0.305145D+01 -0.710626D+01  0.427264D+01
      3   0.494413D+01 -0.156403D+01  0.660386D+01 -0.160974D+02  0.609920D+01
                61            62            63            64            65 
      1   0.425902D+00  0.216824D+01  0.284415D+00 -0.760728D+00 -0.141825D+01
      2  -0.249852D+01  0.343017D+01 -0.398816D+01  0.101946D+02  0.959493D+00
      3  -0.845811D+00  0.454275D+01 -0.399209D+01  0.626259D+01 -0.518176D+01
                66            67            68            69            70 
      1  -0.149530D+01 -0.145120D+01 -0.637891D+00 -0.202409D+00 -0.122373D+01
      2   0.634766D+01  0.162586D+01 -0.129660D+00  0.280442D+00  0.198399D+01
      3   0.233726D+00 -0.166623D+01 -0.207234D+01  0.134668D+01 -0.942295D-01
                71            72            73            74            75 
      1   0.101076D+01 -0.669144D-01  0.156832D+01  0.143228D+01  0.583502D+00
      2  -0.275849D+00  0.106092D+01 -0.216644D+01 -0.940751D+00 -0.238768D+01
      3   0.622032D+00  0.146871D+01  0.210188D+01  0.995474D+00 -0.182323D+00
                76            77            78            79            80 
      1   0.534011D+00  0.552305D+01  0.376687D+01 -0.198546D+00  0.596767D+01
      2  -0.138314D+01 -0.579202D+01 -0.769783D+01 -0.275149D+01 -0.488643D+01
      3   0.171614D+01  0.563923D+01  0.565916D+01 -0.602643D+00  0.500969D+01
                81            82            83            84            85 
      1   0.645204D+01 -0.554116D+00  0.217362D+00  0.236412D+01 -0.755076D+00
      2  -0.123844D+02  0.212606D+01  0.514494D+00 -0.117080D+01  0.355615D+01
      3   0.526066D+01  0.302557D+01 -0.117915D+01  0.989109D+00  0.518064D+01
                86            87            88            89            90 
      1   0.162650D+00 -0.242950D+01  0.610931D+01  0.367629D+01  0.276777D+00
      2   0.758915D+00  0.985488D+00 -0.116074D+02  0.229514D+00 -0.841261D+00
      3  -0.589299D+01  0.103018D+01 -0.130063D+00 -0.858642D+00 -0.526774D+01
                91            92            93            94            95 
      1   0.689583D+00  0.832906D+00 -0.132494D+01  0.134483D+01 -0.102444D+00
      2  -0.301583D+00  0.238507D+01  0.861185D+00  0.137217D+01 -0.306866D+01
      3  -0.766401D+00 -0.107025D+02 -0.242194D+01  0.452175D+01 -0.131231D+01
                96            97            98            99           100 
      1  -0.240473D+01 -0.466616D+01  0.116720D+01 -0.135459D+01  0.216396D+00
      2   0.383915D+01 -0.754915D+01  0.745026D+01  0.521139D+01  0.164607D-02
      3   0.193086D+01 -0.399291D+00  0.304466D+01 -0.390178D+01 -0.100582D+01
               101           102           103           104           105 
      1  -0.846575D+00 -0.858509D+00 -0.106438D+01 -0.306318D+01  0.133026D+01
      2  -0.294604D+00  0.665913D+01 -0.455322D+01 -0.412246D-01  0.383062D+00
      3  -0.676354D+01  0.354784D-01  0.103286D+02  0.496762D+00  0.144756D+01
               106           107           108           109           110 
      1  -0.164322D+01  0.104979D+02  0.286644D+01 -0.747855D+00 -0.549997D+00
      2   0.635065D+01  0.180960D+01  0.144393D+01 -0.987869D+00  0.221796D+01
      3   0.444969D+01  0.102281D+01  0.189772D-01  0.148046D+01 -0.108055D+02
               111           112           113           114           115 
      1   0.214388D+01 -0.153079D+01  0.703594D-01 -0.196614D+01  0.616507D+01
      2   0.273392D+01 -0.120550D+01  0.340979D+01 -0.448626D+01 -0.433057D+01
      3  -0.209564D+01  0.623692D+01  0.318235D+00 -0.224187D+01 -0.311087D+00
               116           117           118           119           120 
      1   0.296110D+01  0.159672D+01 -0.569484D-01  0.138046D+01 -0.163028D+01
      2  -0.907280D+01 -0.307042D+01  0.375344D+01  0.208711D+01 -0.527808D+00
      3  -0.412499D+01  0.363917D+01 -0.225339D+01 -0.310170D+01 -0.258681D+01
               121           122           123           124           125 
      1   0.125338D+01  0.435206D+00 -0.248472D+01 -0.467615D+01  0.221550D+01
      2   0.169633D+01 -0.752395D+00 -0.121003D+01 -0.127098D+02 -0.851372D+00
      3   0.258311D+01  0.631450D+01 -0.266762D-01 -0.339249D+01 -0.122773D+01
               126           127           128           129           130 
      1  -0.601669D+00  0.390705D+00 -0.825480D+00  0.196165D+01  0.218789D+00
      2  -0.388028D+01  0.164176D+01 -0.830776D+00  0.347916D+00 -0.653613D+00
      3   0.443887D+01 -0.874828D+01  0.368273D+01  0.209261D+00  0.652798D+01
               131           132           133           134           135 
      1  -0.757967D-01 -0.320837D+01 -0.219984D+00  0.162732D+01  0.832452D-02
      2   0.118500D+01 -0.764570D+00 -0.155106D+01  0.660227D+00 -0.292933D+00
      3  -0.545966D+01 -0.121697D+01 -0.274076D+00 -0.674590D+00 -0.236602D+00
               136           137           138           139           140 
      1  -0.221374D+00  0.521225D-01 -0.178780D+01 -0.205394D+00  0.555334D+00
      2   0.398534D+00  0.647013D+00  0.179638D+01  0.625196D+00  0.310821D+01
      3  -0.761876D+00 -0.232808D+01 -0.441467D+00 -0.142998D+01 -0.129085D+02
               141           142           143           144           145 
      1  -0.421885D+01  0.580020D+00  0.192406D+01 -0.700863D+00 -0.114275D+00
      2   0.364632D+01 -0.373614D+00  0.403807D+00  0.106975D+01  0.166894D+01
      3  -0.275875D+01 -0.684425D+00 -0.357029D+01 -0.871896D+00 -0.283489D+00
               146           147           148           149           150 
      1   0.454422D+00 -0.464234D+00  0.115366D+00 -0.301265D-01 -0.339964D+00
      2  -0.130155D+00  0.644889D+01  0.170634D+01  0.414549D+00  0.753015D+00
      3  -0.525491D+01  0.218132D+00 -0.380913D+01 -0.861244D+00 -0.436727D+00
               151           152           153           154           155 
      1   0.247849D+00  0.648563D+00  0.276415D-01  0.292610D+00 -0.787209D+00
      2  -0.222454D+01 -0.426505D-01  0.604211D+00  0.150925D+00 -0.230795D+00
      3  -0.137257D+01 -0.777240D+00 -0.199591D+00  0.152728D+01 -0.456326D+01
               156           157           158           159           160 
      1   0.213282D+01  0.296106D+00  0.265337D+00 -0.338265D+01 -0.842140D+00
      2   0.262116D+01  0.842175D+00 -0.154155D+01 -0.356773D+01 -0.552437D+00
      3  -0.164733D+00 -0.325701D+01  0.111139D+02  0.148322D+01 -0.119629D+01
               161           162           163           164           165 
      1   0.145181D+01 -0.371260D+00  0.171732D+00  0.275786D+00 -0.157091D+01
      2   0.174072D+00 -0.494044D+00 -0.196476D+01 -0.133693D+01 -0.789432D-01
      3   0.266198D+01  0.629811D+00  0.643202D+01  0.385946D+01  0.136367D+01
               166           167           168           169           170 
      1   0.357838D+00  0.880266D+00 -0.384605D+01  0.520020D+00  0.234326D+01
      2  -0.175869D+01 -0.231452D+01 -0.179246D+00 -0.221068D+01 -0.946978D+00
      3   0.662482D+01  0.803624D+01  0.253154D+01  0.253301D+01  0.260487D+01
               171 
      1  -0.721098D+00
      2  -0.151538D+00
      3   0.653219D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.323162D+02  0.152501D+01  0.640715D+00 -0.809448D+01 -0.471162D+01
      2   0.179201D+02 -0.283915D+01 -0.158497D+01  0.182667D+01  0.124362D+02
      3   0.143961D+02  0.131414D+01  0.944257D+00  0.626781D+01 -0.772458D+01
      4   0.450182D+01  0.557063D+01 -0.182959D+01  0.186921D+02 -0.215202D+02
      5  -0.490696D+01 -0.183405D+01  0.628599D+01 -0.904400D+01  0.111773D+02
      6  -0.202110D+01  0.832297D-01 -0.226208D+01  0.420501D+01 -0.636905D+01
                 6             7             8             9            10 
      1   0.567337D+00  0.172229D+01  0.249811D+01 -0.332991D+01  0.101613D+02
      2   0.102423D+01 -0.156749D+01 -0.156699D+01 -0.478760D+01 -0.346450D+01
      3  -0.159157D+01 -0.154808D+00 -0.931117D+00  0.811751D+01 -0.669676D+01
      4   0.116192D+02 -0.634047D+01  0.485315D+01 -0.639455D+01 -0.306421D+01
      5  -0.651782D+01  0.119549D+02 -0.681921D+01  0.925518D+01  0.490678D+01
      6   0.115688D+02 -0.183989D+01  0.754018D+01 -0.589661D+01  0.155999D+01
                11            12            13            14            15 
      1   0.139898D+01 -0.751448D+00  0.439299D+01 -0.122220D+01  0.627286D+01
      2   0.118823D+01 -0.742893D+00  0.933868D+00  0.388214D+00 -0.850714D+01
      3  -0.258721D+01  0.149434D+01 -0.532686D+01  0.833989D+00  0.223428D+01
      4  -0.106882D+02  0.359884D+01 -0.214700D+02 -0.397063D+01 -0.159370D+02
      5   0.402970D+01 -0.134603D+02  0.104364D+02 -0.152254D+02 -0.137798D+02
      6   0.882458D-01 -0.160340D+01 -0.417969D+01 -0.546555D+01 -0.139817D+02
                16            17            18            19            20 
      1   0.965000D+01  0.659248D+01 -0.154458D+01  0.590301D+02 -0.852434D+01
      2  -0.808744D+01 -0.288063D+01  0.434217D+01 -0.308401D+02  0.338660D+01
      3  -0.156256D+01 -0.371184D+01 -0.279759D+01 -0.281900D+02  0.513774D+01
      4   0.110123D+02 -0.919697D+01 -0.187397D+02 -0.210792D+02  0.102538D+02
      5  -0.245457D+02 -0.172508D+02 -0.109278D+01  0.133126D+02 -0.290006D+01
      6  -0.101912D+02 -0.104474D+02 -0.163040D+01 -0.180219D+01  0.135344D+01
                21            22            23            24            25 
      1   0.367905D+01  0.831417D+00  0.328986D+01  0.303673D+00 -0.129054D+01
      2  -0.293229D+01 -0.173250D+01 -0.642643D+00 -0.140619D+00  0.657408D-01
      3  -0.746758D+00  0.901079D+00 -0.264722D+01 -0.163054D+00  0.122480D+01
      4  -0.244890D+01  0.678397D+01 -0.313237D+01  0.169108D+00  0.112794D+01
      5   0.754663D+01  0.471076D+00  0.629466D+00 -0.538061D+00  0.595131D+01
      6  -0.164081D+01  0.121033D+01 -0.134769D+00  0.143179D+01 -0.116958D+01
                26            27            28            29            30 
      1   0.706710D+00  0.303965D+01  0.251782D+01  0.239644D+01  0.324882D+01
      2   0.204084D+00 -0.239832D+01 -0.169902D+01 -0.121565D+01 -0.196159D+01
      3  -0.910794D+00 -0.641330D+00 -0.818791D+00 -0.118079D+01 -0.128723D+01
      4  -0.427495D+00 -0.156948D+01  0.760897D+01  0.818398D+01  0.381044D+01
      5  -0.135371D+01  0.214008D+01  0.712946D+01  0.374917D+01  0.950537D+01
      6   0.889225D+00 -0.286063D+00  0.488313D+01  0.185890D+01  0.259079D+01
                31            32            33            34            35 
      1   0.214067D+01 -0.688388D+01 -0.569854D+01  0.157828D+01 -0.573872D+01
      2  -0.736797D+00  0.705737D+01  0.350477D+01 -0.227409D+01  0.122533D+01
      3  -0.140387D+01 -0.173483D+00  0.219377D+01  0.695817D+00  0.451339D+01
      4   0.108332D+02  0.181918D+02  0.115028D+02  0.497117D+01  0.108743D+02
      5   0.506909D+01  0.109810D+02  0.124761D+02  0.126108D+02  0.113521D+02
      6   0.406461D+01  0.126577D+02  0.121191D+02  0.522705D+01  0.115438D+02
                36            37            38            39            40 
      1  -0.818711D+01 -0.594467D+02 -0.160658D+02  0.517603D+01 -0.140181D+02
      2  -0.359191D+01  0.243812D+02  0.119283D+02  0.677037D+00  0.804996D+01
      3   0.117790D+02  0.350654D+02  0.413751D+01 -0.585306D+01  0.596815D+01
      4   0.121186D+02 -0.204216D+02  0.770649D+01 -0.261863D+01  0.102037D+02
      5   0.189508D+02  0.799212D+01 -0.104008D+00  0.104361D+02 -0.536296D+01
      6   0.135897D+02  0.137458D+01 -0.694963D+01  0.396784D+01 -0.553315D+01
                41            42            43            44            45 
      1   0.213391D+02 -0.226899D+01 -0.497291D+01 -0.324180D+01  0.110051D+02
      2  -0.133485D+02  0.147553D+02  0.761788D+01  0.124227D+02 -0.346406D+01
      3  -0.799062D+01 -0.124863D+02 -0.264497D+01 -0.918093D+01 -0.754100D+01
      4  -0.531731D+01  0.114795D+02 -0.114056D+02  0.821638D+01  0.185357D+02
      5   0.706074D+01  0.147680D+02  0.211347D+02  0.164542D+02 -0.388793D+01
      6   0.716144D+01 -0.460370D+01  0.886608D+01 -0.131207D+01 -0.923595D+01
                46            47            48            49            50 
      1  -0.179625D+02 -0.881295D+00 -0.154650D+01  0.407876D+01 -0.997499D+01
      2   0.575654D+01 -0.346188D-01 -0.229227D+00 -0.490324D+01  0.132086D+02
      3   0.122060D+02  0.915914D+00  0.177573D+01  0.824485D+00 -0.323361D+01
      4   0.899741D+01  0.401478D+01 -0.194095D-01 -0.109281D+02 -0.378578D+01
      5  -0.655917D+01 -0.723366D+00  0.135270D+00 -0.474611D+01  0.594038D+00
      6  -0.295398D+01  0.733687D+00  0.808654D+00 -0.330646D+01  0.527140D+01
                51            52            53            54            55 
      1  -0.106304D+01 -0.759680D+01 -0.269587D+01 -0.947765D+01 -0.140769D+01
      2   0.638016D+01  0.648302D+00  0.382791D+01 -0.240498D+01  0.328712D+01
      3  -0.531712D+01  0.694849D+01 -0.113204D+01  0.118826D+02 -0.187943D+01
      4   0.149359D+00 -0.621510D+01 -0.125130D+00  0.230137D+01  0.235722D+01
      5   0.120960D+01  0.392698D+01  0.187496D+01 -0.237548D-01  0.559911D+00
      6  -0.830675D+00 -0.296089D+00  0.608724D+01 -0.324637D+01 -0.336453D+01
                56            57            58            59            60 
      1   0.102279D+02 -0.513129D+01  0.998772D+01 -0.236085D+02  0.947033D+01
      2  -0.853860D+01  0.161568D+01 -0.671752D+01  0.267846D+02 -0.658089D+01
      3  -0.168930D+01  0.351561D+01 -0.327020D+01 -0.317607D+01 -0.288944D+01
      4  -0.152313D+01  0.693075D+00  0.318600D+01  0.222880D+02 -0.888775D+01
      5  -0.106138D+01 -0.166226D+01 -0.381626D+01 -0.612343D+01  0.586221D+01
      6   0.509003D+01 -0.393261D+01  0.170888D+01 -0.187851D+02  0.118234D+02
                61            62            63            64            65 
      1  -0.191235D+01  0.768181D+01 -0.980737D+01  0.864958D+02  0.104902D+02
      2   0.302112D+00 -0.436847D+01  0.352588D+01 -0.420769D+02 -0.312090D+01
      3   0.161023D+01 -0.331334D+01  0.628149D+01 -0.444190D+02 -0.736925D+01
      4   0.540229D+00 -0.611343D+01  0.373447D+01  0.282678D+02  0.146790D+02
      5   0.569922D+00  0.364239D+01 -0.453559D+01 -0.224664D+02 -0.405301D+01
      6  -0.189434D+01  0.106155D+02 -0.712630D+01 -0.357486D+01 -0.267935D+01
                66            67            68            69            70 
      1  -0.250409D+01  0.687152D+01  0.626849D+01  0.302934D+00  0.637441D+01
      2   0.409846D+01 -0.808723D+00 -0.113555D+01 -0.111375D+01 -0.678335D+00
      3  -0.159437D+01 -0.606280D+01 -0.513294D+01  0.810817D+00 -0.569608D+01
      4  -0.248306D+01  0.153160D+02  0.799246D+01 -0.221126D+01  0.222396D+01
      5   0.130054D+02 -0.187690D+01 -0.332798D+01  0.585239D+00  0.100831D+02
      6   0.310754D+01 -0.233880D+01 -0.218928D+01  0.237757D+01  0.250030D+01
                71            72            73            74            75 
      1   0.682893D+00  0.663490D+01  0.322866D+01 -0.135497D+01 -0.614887D+01
      2  -0.632297D+00 -0.461333D+01 -0.362658D+01  0.384925D-01  0.669213D+00
      3  -0.505961D-01 -0.202157D+01  0.397922D+00  0.131648D+01  0.547966D+01
      4   0.592603D+00  0.120244D+01 -0.931236D+00 -0.131652D+01  0.460134D-01
      5   0.224397D+00 -0.756398D+00 -0.278539D+01  0.169806D+01  0.290499D+00
      6   0.165091D+01  0.565014D+00  0.167347D+01  0.183396D+01 -0.360991D+00
                76            77            78            79            80 
      1  -0.440979D+01 -0.698017D+01 -0.528170D+01 -0.460215D+01 -0.384840D+01
      2   0.303009D+01 -0.539843D+00 -0.735241D+01  0.326057D+01 -0.604238D+01
      3   0.137971D+01  0.752001D+01  0.126341D+02  0.134158D+01  0.989079D+01
      4   0.249690D+00 -0.107413D+02 -0.960374D+01  0.674116D+00 -0.874361D+01
      5   0.612983D+01 -0.767364D+01 -0.138781D+02  0.568888D+01 -0.748463D+01
      6   0.432139D+00  0.722245D+01  0.706208D+01 -0.353868D+00  0.655281D+01
                81            82            83            84            85 
      1  -0.139998D+02  0.898241D+00  0.166212D+02  0.510229D+01 -0.540547D+01
      2  -0.124729D+02 -0.277543D+01 -0.121530D+02 -0.113125D+01  0.125048D+02
      3   0.264727D+02  0.187719D+01 -0.446821D+01 -0.397103D+01 -0.709937D+01
      4  -0.957071D+01  0.107032D+02 -0.101532D+02 -0.206530D+00  0.359133D+01
      5  -0.204970D+02  0.387857D+01 -0.885394D+00 -0.171960D+01  0.295296D+01
      6   0.497616D+01  0.276487D+01 -0.286073D+01 -0.421745D+01  0.789270D+01
                86            87            88            89            90 
      1   0.320358D+01  0.413303D+01 -0.590001D+00  0.717551D+01 -0.130360D+02
      2  -0.574069D+01 -0.351710D+01  0.537273D+01 -0.905129D+01  0.137857D+01
      3   0.253711D+01 -0.615934D+00 -0.478273D+01  0.187577D+01  0.116574D+02
      4   0.145800D+02  0.268486D+01  0.308334D+01  0.589263D+00  0.355516D+01
      5   0.262221D+01  0.106456D+01  0.442343D+01  0.265417D+01 -0.184247D+01
      6  -0.572199D+01  0.475066D+01 -0.228843D+01  0.116064D+02 -0.275587D+00
                91            92            93            94            95 
      1   0.793015D+01 -0.218345D+02 -0.308088D+01  0.204753D+02  0.121205D+02
      2  -0.681934D+01  0.149605D+02  0.126969D+01 -0.179720D+02 -0.144159D+02
      3  -0.111081D+01  0.687405D+01  0.181119D+01 -0.250332D+01  0.229541D+01
      4  -0.142593D+02 -0.686145D+01 -0.502570D+01  0.878436D+01 -0.399255D+01
      5  -0.628629D+01 -0.347548D+01 -0.112795D+01  0.224610D+00 -0.709626D+01
      6  -0.572001D+01 -0.122900D+01  0.288130D+01 -0.516488D+01 -0.113606D+02
                96            97            98            99           100 
      1   0.400671D+01  0.394216D+01 -0.365860D+00 -0.515819D+01 -0.150826D+02
      2  -0.649969D+01 -0.743413D+01 -0.830040D+01 -0.583438D+01  0.988559D+01
      3   0.249298D+01  0.349197D+01  0.866626D+01  0.109926D+02  0.519701D+01
      4  -0.635249D+01 -0.466432D+01 -0.110608D+02  0.112834D+02 -0.229718D+01
      5   0.776027D+01  0.112525D+02  0.119838D+02  0.991363D+01 -0.619128D+01
      6   0.283624D+01  0.501433D+01  0.117538D+02  0.313399D+01  0.130670D+01
               101           102           103           104           105 
      1  -0.205355D+01 -0.649769D+01  0.781175D+01 -0.215871D+02 -0.849922D+01
      2   0.157266D+01  0.337522D+01 -0.561756D+01  0.180418D+02  0.101395D+02
      3   0.480894D+00  0.312247D+01 -0.219419D+01  0.354528D+01 -0.164032D+01
      4   0.211872D+02  0.101394D+01 -0.185881D+02 -0.508164D+01 -0.447432D+01
      5   0.756749D+00  0.146173D+02 -0.130240D+02 -0.179578D+01  0.152107D+00
      6   0.683969D+00  0.178966D+01 -0.363435D+01  0.425712D+01 -0.186776D+01
               106           107           108           109           110 
      1  -0.591898D+01 -0.937527D+01  0.117024D+02  0.703922D+00  0.228318D+02
      2   0.914820D+00  0.731281D+01 -0.150985D+02 -0.390160D+01 -0.143859D+02
      3   0.500416D+01  0.206246D+01  0.339610D+01  0.319768D+01 -0.844591D+01
      4  -0.137420D+02 -0.944144D+00  0.795979D+00  0.191724D+02  0.197999D+01
      5   0.315101D+02  0.235696D+01  0.424005D+01  0.557678D+00  0.138201D+01
      6   0.676787D+00  0.534118D+01 -0.424689D+01  0.138667D+01 -0.269812D+01
               111           112           113           114           115 
      1   0.624560D+01 -0.234585D+02  0.561876D+01  0.118441D+01 -0.871724D+01
      2  -0.831122D+00  0.219465D+02 -0.901014D+01 -0.139544D+01  0.106819D+02
      3  -0.541447D+01  0.151198D+01  0.339138D+01  0.211031D+00 -0.196466D+01
      4   0.320758D+01  0.364047D+01  0.111398D+02  0.998885D+01 -0.342843D+00
      5   0.553258D+01 -0.528501D+01  0.838798D+01 -0.826439D+01  0.172045D+02
      6  -0.495524D+01  0.767525D+01 -0.675699D+01  0.393288D+01 -0.568622D+01
               116           117           118           119           120 
      1   0.584199D+01  0.186408D+01  0.911743D+01 -0.125228D+02 -0.876569D+00
      2  -0.935596D+01 -0.779453D+01 -0.692200D+01  0.105313D+02 -0.424083D-01
      3   0.351398D+01  0.593045D+01 -0.219543D+01  0.199147D+01  0.918977D+00
      4   0.101997D+02 -0.122226D+02 -0.119328D+02 -0.173381D+02 -0.424581D+01
      5  -0.129949D+02 -0.748043D+01  0.395766D+00 -0.305760D+01 -0.406327D+01
      6   0.108132D+02 -0.162356D+01 -0.298759D+01 -0.126065D+01  0.298919D+01
               121           122           123           124           125 
      1   0.109295D+01  0.959932D+01  0.633339D+01  0.324907D+01  0.412402D+01
      2  -0.817882D+01 -0.116456D+02 -0.764351D+01 -0.551972D+01 -0.103494D+02
      3   0.708587D+01  0.204632D+01  0.131012D+01  0.227065D+01  0.622538D+01
      4   0.120070D+02 -0.119292D+02 -0.156516D+01 -0.220666D+00 -0.397907D+01
      5  -0.365387D+00 -0.223124D+01 -0.114159D+01  0.158111D+01 -0.482507D+01
      6  -0.572299D+01 -0.112517D+02  0.207549D+01  0.147421D+01  0.106522D+02
               126           127           128           129           130 
      1  -0.138541D+02 -0.480194D+01  0.781948D+01  0.966573D+00  0.842069D+01
      2  -0.154687D+01  0.678683D+01 -0.107306D+02 -0.762726D+00 -0.112123D+02
      3   0.154010D+02 -0.198490D+01  0.291116D+01 -0.203847D+00  0.279158D+01
      4  -0.647144D+01 -0.842940D+01  0.811420D+01  0.110663D+01  0.774318D+01
      5  -0.680663D+01 -0.681577D+00  0.120125D+01  0.118991D+01  0.124339D+01
      6   0.452635D+01  0.882843D+00 -0.110151D+01 -0.257565D+01 -0.222681D+01
               131           132           133           134           135 
      1  -0.217207D+02 -0.355671D+01  0.155017D+01 -0.412103D+01 -0.116362D+01
      2   0.291650D+02  0.290011D+01 -0.203728D+01  0.476997D+01  0.191643D+01
      3  -0.744427D+01  0.656599D+00  0.487110D+00 -0.648945D+00 -0.752810D+00
      4  -0.810850D+01 -0.901258D+00  0.105357D+01 -0.105818D+01 -0.192129D+01
      5  -0.129320D+01 -0.113573D+01  0.127339D+01 -0.886638D+00 -0.783615D+00
      6   0.474485D+01  0.547863D+01 -0.132934D+01  0.274510D+01  0.156011D+01
               136           137           138           139           140 
      1   0.632228D+01  0.530438D+01  0.129382D+01 -0.378700D+00 -0.139475D+02
      2   0.254695D+01  0.437751D+01  0.370333D-01  0.103316D+02  0.339599D+02
      3  -0.886923D+01 -0.968189D+01 -0.133086D+01 -0.995290D+01 -0.200124D+02
      4   0.195898D+02  0.232312D+02  0.578049D+01  0.241507D+02  0.454078D+02
      5   0.532149D+01  0.578475D+01  0.524180D+01  0.589039D+01  0.101150D+02
      6   0.382129D+01  0.429837D+01  0.342768D+01  0.576006D+01  0.134234D+02
               141           142           143           144           145 
      1  -0.357216D+01  0.390718D+00 -0.291380D+01 -0.227012D+01  0.999190D+02
      2   0.516314D+01  0.191384D+01  0.686423D+01  0.320323D+01 -0.567770D+02
      3  -0.159098D+01 -0.230456D+01 -0.395042D+01 -0.933105D+00 -0.431420D+02
      4   0.102983D+02  0.700512D+01  0.124069D+02  0.514608D+01  0.936047D+01
      5   0.715217D+01  0.288389D+01  0.445185D+01  0.335129D+01  0.120616D+02
      6   0.955480D+01  0.282018D+01  0.643185D+01  0.436645D+01 -0.247138D+01
               146           147           148           149           150 
      1   0.664123D+01  0.772094D+01  0.455267D+01  0.945359D+01  0.166177D+01
      2  -0.328958D+01 -0.538426D+01 -0.197966D+01 -0.442012D+01 -0.138415D+01
      3  -0.335165D+01 -0.233668D+01 -0.257301D+01 -0.503347D+01 -0.277623D+00
      4   0.911716D+01  0.261977D+00  0.149578D+02  0.295114D+01  0.149533D+01
      5   0.331800D+00  0.116005D+02  0.338815D+01  0.170764D+01  0.123180D+01
      6   0.392350D+00  0.274622D+00  0.101295D+01 -0.102862D+00  0.140331D+01
               151           152           153           154           155 
      1   0.948762D+01  0.198189D+01  0.493198D+01  0.194644D+02 -0.123553D+02
      2  -0.568827D+01 -0.111805D+01 -0.318312D+01 -0.283216D+01 -0.178979D+01
      3  -0.379935D+01 -0.863846D+00 -0.174886D+01 -0.166322D+02  0.141451D+02
      4   0.373614D+01  0.149250D+01  0.849270D+00 -0.312495D+02  0.295335D+02
      5   0.533704D+01  0.544527D+00  0.244170D+01 -0.595093D+01  0.421657D+01
      6   0.121461D+00  0.697251D+00  0.352607D+00  0.213926D+01 -0.178839D+01
               156           157           158           159           160 
      1  -0.247108D+01 -0.764880D+01  0.148080D+01  0.582969D+00 -0.631668D+00
      2   0.914894D+00 -0.689081D+01  0.186063D+02  0.102271D+01 -0.129898D+01
      3   0.155619D+01  0.145396D+02 -0.200871D+02 -0.160568D+01  0.193065D+01
      4   0.420472D+01  0.323346D+02 -0.442742D+02 -0.744437D+01  0.580340D+01
      5   0.600222D+01  0.660780D+01 -0.787639D+01 -0.673392D+01  0.298172D+01
      6  -0.329944D+01 -0.406510D+01  0.593038D+01  0.631514D+01 -0.227859D+01
               161           162           163           164           165 
      1  -0.352332D+00 -0.266246D+00 -0.553712D+01 -0.823051D+01 -0.308629D+01
      2   0.297350D+01  0.143568D+01  0.655306D+01  0.939750D+01  0.195596D+01
      3  -0.262117D+01 -0.116943D+01 -0.101594D+01 -0.116699D+01  0.113034D+01
      4  -0.786616D+01 -0.425809D+01  0.418041D+01  0.720112D+01  0.167506D+01
      5  -0.336432D+01 -0.195434D+01  0.119626D+01  0.146541D+01  0.159184D+01
      6   0.359644D+01  0.233188D+01  0.310285D+01  0.415120D+01  0.301038D+01
               166           167           168           169           170 
      1  -0.795935D+01 -0.303322D+02 -0.922649D+01 -0.270164D+01 -0.897974D+01
      2   0.955985D+01  0.384408D+02  0.793959D+01  0.281827D+01  0.971789D+01
      3  -0.160050D+01 -0.810857D+01  0.128690D+01 -0.116631D+00 -0.738151D+00
      4   0.543793D+01  0.377833D+00 -0.525654D+00  0.169965D+01  0.290195D+00
      5   0.110692D+01 -0.632120D+00 -0.272714D+00  0.110327D+01  0.515091D+00
      6   0.369464D+01  0.139903D+02  0.950205D+01  0.170229D+01  0.613470D+01
               171 
      1  -0.438209D+01
      2   0.408990D+01
      3   0.292186D+00
      4   0.162539D+01
      5   0.852515D+00
      6   0.468656D+01
 Leave Link  716 at Thu Aug 12 22:01:40 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126926D+03  0.107511D+01  0.148434D+01
      2   0.107511D+01  0.102892D+03  0.652113D+01
      3   0.148434D+01  0.652113D+01  0.709480D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.115019D+01  0.350985D+01  0.689463D+01
      2   0.595811D+01  0.132762D+02 -0.140534D+01
      3  -0.650298D+01 -0.400913D+02 -0.124939D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.839103D+02  0.946117D+01  0.297895D+01
      2  -0.319869D+02 -0.140757D+02 -0.152124D+02
      3  -0.519234D+02  0.461453D+01  0.122335D+02
      4  -0.189901D+02  0.742924D+02  0.324315D+02
      5   0.292682D+02  0.337366D+02 -0.947214D+01
      6   0.127244D+02  0.959618D+01 -0.158497D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.669549D+01  0.603058D+00 -0.180350D+00  0.207247D+01 -0.210570D+01
      2   0.603058D+00  0.475792D+00  0.397836D+00 -0.210570D+01  0.346577D+01
      3  -0.180350D+00  0.397836D+00  0.186588D+00  0.114059D+01 -0.242326D+01
                 6             7             8             9            10 
      1   0.114059D+01 -0.203332D+00  0.840184D+00 -0.127772D+01  0.395468D+01
      2  -0.242326D+01  0.840184D+00 -0.716687D+00  0.132908D+01  0.126336D+01
      3   0.800676D+00 -0.127772D+01  0.132908D+01 -0.164228D+01 -0.870803D+00
                11            12            13            14            15 
      1   0.126336D+01 -0.870803D+00  0.366686D+01  0.353521D+01 -0.152544D+01
      2   0.119053D+01 -0.978613D+00  0.353521D+01  0.138782D+01  0.340427D+01
      3  -0.978613D+00  0.175689D+01 -0.152544D+01  0.340427D+01  0.364826D+01
                16            17            18            19            20 
      1  -0.423621D+01 -0.152694D+01  0.434831D+01 -0.107799D+02  0.182485D+01
      2  -0.152694D+01  0.181794D+01  0.368774D+01  0.182485D+01 -0.146996D+01
      3   0.434831D+01  0.368774D+01  0.407403D+00 -0.893605D+00  0.361158D+00
                21            22            23            24            25 
      1  -0.893605D+00  0.359183D+00 -0.790561D+00 -0.650555D-01  0.413929D+00
      2   0.361158D+00 -0.790561D+00  0.537578D+00  0.773239D-02 -0.116630D+00
      3  -0.114969D+01 -0.650555D-01  0.773239D-02  0.167572D+00 -0.736280D+00
                26            27            28            29            30 
      1  -0.116630D+00 -0.736280D+00 -0.830816D+00 -0.127617D+01 -0.125069D+01
      2   0.104520D+00  0.252069D+00 -0.127617D+01 -0.851749D+00 -0.403520D+00
      3   0.252069D+00 -0.366739D+00 -0.125069D+01 -0.403520D+00 -0.122259D+01
                31            32            33            34            35 
      1  -0.303813D+01 -0.169493D+01 -0.721515D+00 -0.187358D+01 -0.696295D+00
      2  -0.169493D+01 -0.393924D+01 -0.254765D+01 -0.696295D+00 -0.235740D+01
      3  -0.721515D+00 -0.254765D+01 -0.288777D+01 -0.193888D+01 -0.263978D+01
                36            37            38            39            40 
      1  -0.193888D+01  0.963614D+01  0.163283D+01  0.609406D+00  0.336762D-01
      2  -0.263978D+01  0.163283D+01 -0.208077D+01  0.803252D+00 -0.249976D+01
      3  -0.456305D+01  0.609406D+00  0.803252D+00 -0.210857D+01  0.161002D+01
                41            42            43            44            45 
      1  -0.249976D+01  0.161002D+01  0.536513D+01  0.201698D+01 -0.350490D+01
      2   0.220485D+01 -0.275894D+01  0.201698D+01 -0.188082D+01 -0.317616D+01
      3  -0.275894D+01 -0.309076D+01 -0.350490D+01 -0.317616D+01 -0.141483D+00
                46            47            48            49            50 
      1  -0.163799D+02 -0.252971D+01  0.192291D+00 -0.315828D+01  0.101667D+01
      2  -0.252971D+01 -0.282954D+01 -0.154502D-01  0.101667D+01  0.390211D-02
      3   0.192291D+00 -0.154502D-01 -0.170567D+01  0.128953D+01 -0.340933D+00
                51            52            53            54            55 
      1   0.128953D+01 -0.895581D+00  0.124621D+01 -0.359717D+01  0.106018D+00
      2  -0.340933D+00  0.124621D+01 -0.411323D+00 -0.699772D+00 -0.119229D+01
      3  -0.286865D+00 -0.359717D+01 -0.699772D+00 -0.908324D+00  0.298806D+00
                56            57            58            59            60 
      1  -0.119229D+01  0.298806D+00 -0.179893D+01  0.603261D+00 -0.109076D+00
      2   0.144426D+01 -0.641068D+00  0.603261D+00 -0.606665D+01  0.232922D+01
      3  -0.641068D+00  0.100547D+01 -0.109076D+00  0.232922D+01 -0.182511D+01
                61            62            63            64            65 
      1   0.943662D-01 -0.321464D+00  0.422468D+00 -0.140129D+02 -0.215840D+01
      2  -0.321464D+00  0.169679D+01 -0.133108D+01 -0.215840D+01 -0.130338D+01
      3   0.422468D+00 -0.133108D+01  0.165953D+01  0.107128D+01  0.320212D+00
                66            67            68            69            70 
      1   0.107128D+01 -0.156705D+01 -0.156248D+01  0.107881D-01 -0.128032D+01
      2   0.320212D+00 -0.156248D+01 -0.102491D+01  0.439265D+00 -0.284689D+00
      3  -0.143845D+01  0.107881D-01  0.439265D+00  0.159104D-01 -0.104199D+01
                71            72            73            74            75 
      1  -0.284689D+00 -0.104199D+01 -0.411605D+00  0.503374D+00  0.611134D+00
      2  -0.885098D-01  0.779060D-01  0.503374D+00  0.484154D+00 -0.105219D-01
      3   0.779060D-01 -0.115022D+00  0.611134D+00 -0.105219D-01  0.968561D+00
                76            77            78            79            80 
      1   0.142950D+01  0.185922D+00 -0.631785D+00  0.880390D+00 -0.214221D+00
      2   0.185922D+00  0.206818D+01  0.197113D+01 -0.214221D+00  0.176576D+01
      3  -0.631785D+00  0.197113D+01  0.318079D+01 -0.223082D+00  0.177879D+01
                81            82            83            84            85 
      1  -0.223082D+00  0.323727D+01 -0.764844D+00  0.106550D+00  0.750107D+01
      2   0.177879D+01 -0.764844D+00 -0.279296D+01 -0.672323D+00  0.312693D+00
      3   0.507985D+01  0.106550D+00 -0.672323D+00 -0.176186D+01  0.124481D+00
                86            87            88            89            90 
      1   0.312693D+00  0.124481D+00  0.279594D+01 -0.253836D+00 -0.177911D+01
      2   0.166681D+01 -0.777272D+00 -0.253836D+00 -0.173902D+01  0.301812D+01
      3  -0.777272D+00  0.160978D+01 -0.177911D+01  0.301812D+01  0.109964D+01
                91            92            93            94            95 
      1  -0.312710D+01 -0.303451D+00 -0.215721D+00  0.442474D+01 -0.597208D-02
      2  -0.303451D+00  0.233772D+01 -0.389909D+00 -0.597208D-02  0.986569D+00
      3  -0.215721D+00 -0.389909D+00  0.738315D+00 -0.405791D+00 -0.103592D+01
                96            97            98            99           100 
      1  -0.405791D+00  0.409421D+00 -0.905811D+00  0.179495D+01  0.471930D+01
      2  -0.103592D+01 -0.905811D+00 -0.132684D+01  0.315428D+01  0.362197D+00
      3   0.150195D+01  0.179495D+01  0.315428D+01  0.274802D+01 -0.659472D+00
               101           102           103           104           105 
      1   0.362197D+00 -0.659472D+00  0.108096D+01 -0.529878D-01 -0.126699D+01
      2   0.311021D+01  0.123450D+00 -0.529878D-01  0.427889D+00 -0.559055D+00
      3   0.123450D+00  0.248858D+01 -0.126699D+01 -0.559055D+00 -0.868774D-01
               106           107           108           109           110 
      1  -0.824463D-01 -0.129895D+01  0.489388D+01 -0.231623D+01 -0.584073D+00
      2  -0.129895D+01  0.172442D+00  0.335588D+00 -0.584073D+00  0.193559D+01
      3   0.489388D+01  0.335588D+00  0.914752D+00 -0.401474D+00  0.797489D+00
               111           112           113           114           115 
      1  -0.401474D+00 -0.494776D+01 -0.862511D+00 -0.102019D+01 -0.176191D+01
      2   0.797489D+00 -0.862511D+00 -0.110619D+01  0.123280D+01 -0.636793D+00
      3   0.173727D+01 -0.102019D+01  0.123280D+01 -0.152524D+01  0.261212D+01
               116           117           118           119           120 
      1  -0.636793D+00  0.261212D+01  0.424237D+01  0.228368D+01  0.583387D+00
      2   0.190674D+01 -0.275376D+01  0.228368D+01 -0.205712D+01 -0.282686D-01
      3  -0.275376D+01 -0.121272D+01  0.583387D+00 -0.282686D-01 -0.973024D+00
               121           122           123           124           125 
      1  -0.636035D+01 -0.775923D+00  0.380382D+00 -0.394893D+00  0.107954D+01
      2  -0.775923D+00 -0.158538D+01  0.120388D+01  0.107954D+01  0.110221D+01
      3   0.380382D+00  0.120388D+01 -0.122573D+01 -0.603225D+00 -0.286971D+01
               126           127           128           129           130 
      1  -0.603225D+00 -0.324089D+01  0.224049D+01  0.198191D+00  0.230744D+01
      2  -0.286971D+01  0.224049D+01 -0.275592D+01 -0.249302D+00 -0.279931D+01
      3  -0.299902D+01  0.198191D+00 -0.249302D+00 -0.450054D+00 -0.485063D+00
               131           132           133           134           135 
      1  -0.279931D+01 -0.485063D+00  0.793140D-01 -0.391829D+00 -0.104078D+00
      2   0.619547D+01  0.869380D+00 -0.391829D+00  0.120220D+01  0.322508D+00
      3   0.869380D+00  0.955796D+00 -0.104078D+00  0.322508D+00  0.199742D+00
               136           137           138           139           140 
      1   0.246543D+01  0.270280D+01  0.797495D+00  0.234800D+01  0.370405D+01
      2   0.270280D+01  0.287197D+01  0.770574D+00  0.370405D+01  0.892256D+01
      3   0.797495D+00  0.770574D+00  0.626132D+00  0.954384D+00  0.210058D+01
               141           142           143           144           145 
      1   0.954384D+00  0.758402D+00  0.115499D+01  0.388403D+00  0.132611D+02
      2   0.210058D+01  0.115499D+01  0.238962D+01  0.768933D+00  0.926400D+00
      3   0.146941D+01  0.388403D+00  0.768933D+00  0.519535D+00  0.122718D+01
               146           147           148           149           150 
      1   0.926400D+00  0.122718D+01  0.745763D+00  0.160758D+01  0.428560D+00
      2   0.861789D+00  0.327125D-01  0.160758D+01  0.352934D+00  0.179952D+00
      3   0.327125D-01  0.113770D+01  0.428560D+00  0.179952D+00  0.140892D+00
               151           152           153           154           155 
      1   0.133856D+01  0.440687D+00  0.315994D+00  0.456794D+01 -0.368546D+01
      2   0.440687D+00  0.120175D+00  0.277288D-01 -0.368546D+01  0.349545D+01
      3   0.315994D+00  0.277288D-01  0.224574D+00 -0.627307D+00  0.461885D+00
               156           157           158           159           160 
      1  -0.627307D+00 -0.352682D+01  0.432600D+01  0.907375D+00 -0.615161D+00
      2   0.461885D+00  0.432600D+01 -0.678629D+01 -0.117803D+01  0.751225D+00
      3   0.673047D+00  0.907375D+00 -0.117803D+01 -0.105495D+01  0.261220D+00
               161           162           163           164           165 
      1   0.751225D+00  0.261220D+00 -0.178632D+01 -0.184864D+01 -0.596297D+00
      2  -0.143924D+01 -0.452970D+00 -0.184864D+01 -0.206606D+01 -0.679593D+00
      3  -0.452970D+00 -0.287078D+00 -0.596297D+00 -0.679593D+00 -0.508620D+00
               166           167           168           169           170 
      1  -0.157235D+01 -0.214125D+01 -0.615207D+00 -0.792014D+00 -0.882354D+00
      2  -0.214125D+01 -0.771168D+01 -0.211715D+01 -0.882354D+00 -0.231856D+01
      3  -0.615207D+00 -0.211715D+01 -0.150774D+01 -0.230893D+00 -0.829520D+00
               171 
      1  -0.230893D+00
      2  -0.829520D+00
      3  -0.617337D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.343454D+00  0.705026D+00  0.965110D+00  0.998029D-01 -0.372507D+01
      2   0.568083D+01 -0.653784D+00  0.192609D+01  0.448201D+00  0.329080D+01
      3   0.136317D+02 -0.439736D+01  0.134136D+01  0.195433D+01  0.108674D+02
                 6             7             8             9            10 
      1  -0.423843D+01 -0.207873D+01  0.366601D+01  0.498622D+00 -0.134919D+01
      2  -0.293141D+01 -0.280647D+01 -0.960244D+00  0.315602D+01  0.242666D+01
      3  -0.510347D+01  0.402879D+00 -0.197031D+01  0.320183D+01  0.185698D+01
                11            12            13            14            15 
      1  -0.457492D+00 -0.184774D-01  0.767352D+00  0.240765D+01  0.887702D+00
      2   0.142521D+01 -0.161682D+01  0.264006D+01 -0.568543D+01 -0.585462D+01
      3   0.614386D+00 -0.113410D+00  0.116427D+02 -0.213103D+01  0.774039D+01
                16            17            18            19            20 
      1   0.448697D+01  0.489067D+01 -0.147109D+01 -0.596925D+00  0.760644D+00
      2  -0.149116D+02 -0.866086D+01 -0.436580D+00 -0.594987D+01  0.319126D+00
      3  -0.876035D+00  0.656100D+01  0.566030D+01 -0.833621D+01 -0.351152D+01
                21            22            23            24            25 
      1   0.693377D+00  0.405693D+00 -0.949076D-01 -0.526820D+00  0.519371D+00
      2   0.413052D+01 -0.790755D-01 -0.806259D+00  0.202633D-01  0.127253D+01
      3   0.167394D+00 -0.112839D+01  0.249720D+00  0.391339D+00  0.316865D+00
                26            27            28            29            30 
      1   0.129020D+00 -0.322636D+00 -0.727474D+00  0.105832D+00 -0.995312D+00
      2  -0.405460D+00  0.607278D-01  0.167701D+01  0.270408D+00  0.233759D+01
      3   0.400086D+00 -0.261533D+00 -0.299442D+01 -0.240964D+01 -0.926623D-01
                31            32            33            34            35 
      1  -0.171724D+00  0.144050D+01 -0.237009D+01 -0.126061D+01  0.112329D+01
      2  -0.592866D+00  0.442012D+01  0.540295D+01  0.353138D+00  0.415271D+01
      3   0.475048D+00 -0.757242D+01 -0.530068D+01  0.663313D+00 -0.492015D+01
                36            37            38            39            40 
      1  -0.247967D+01  0.342236D+01 -0.314883D+01 -0.150824D+01  0.118997D-01
      2   0.739776D+01 -0.127074D+02 -0.443594D+01  0.837202D+01 -0.600194D+01
      3  -0.456506D+01 -0.352469D+01 -0.108810D+02  0.942286D+00 -0.435028D+01
                41            42            43            44            45 
      1   0.191460D+01 -0.102660D+02 -0.164292D+01 -0.473260D+01 -0.307794D+01
      2   0.992882D+01  0.636154D+01  0.514359D+01  0.712320D+01  0.377619D+01
      3   0.102984D+02 -0.104345D+02  0.148863D+01 -0.945671D+01 -0.567860D+01
                46            47            48            49            50 
      1  -0.378501D+00 -0.141137D+00 -0.205572D+00 -0.231349D+01 -0.339435D+01
      2  -0.272149D+01 -0.128835D+01 -0.139421D+01 -0.133589D+01  0.721788D+00
      3  -0.316117D+01  0.553682D+01  0.904130D+00  0.147291D+02  0.151551D+01
                51            52            53            54            55 
      1   0.121011D+01 -0.577665D-01  0.871087D+01  0.241521D+01 -0.158778D+01
      2   0.746828D+00 -0.125105D+02  0.127042D+00  0.101497D+01 -0.217610D+01
      3  -0.139674D+01  0.324618D+00  0.111076D+01  0.332769D-02 -0.502733D+01
                56            57            58            59            60 
      1   0.195813D+01  0.101512D+01  0.134208D+01 -0.579314D+01 -0.785754D+00
      2   0.257813D+01 -0.193068D+01  0.305145D+01 -0.710626D+01  0.427264D+01
      3   0.494413D+01 -0.156403D+01  0.660386D+01 -0.160974D+02  0.609920D+01
                61            62            63            64            65 
      1   0.425902D+00  0.216824D+01  0.284415D+00 -0.760728D+00 -0.141825D+01
      2  -0.249852D+01  0.343017D+01 -0.398816D+01  0.101946D+02  0.959493D+00
      3  -0.845811D+00  0.454275D+01 -0.399209D+01  0.626259D+01 -0.518176D+01
                66            67            68            69            70 
      1  -0.149530D+01 -0.145120D+01 -0.637891D+00 -0.202409D+00 -0.122373D+01
      2   0.634766D+01  0.162586D+01 -0.129660D+00  0.280442D+00  0.198399D+01
      3   0.233726D+00 -0.166623D+01 -0.207234D+01  0.134668D+01 -0.942295D-01
                71            72            73            74            75 
      1   0.101076D+01 -0.669144D-01  0.156832D+01  0.143228D+01  0.583502D+00
      2  -0.275849D+00  0.106092D+01 -0.216644D+01 -0.940751D+00 -0.238768D+01
      3   0.622032D+00  0.146871D+01  0.210188D+01  0.995474D+00 -0.182323D+00
                76            77            78            79            80 
      1   0.534011D+00  0.552305D+01  0.376687D+01 -0.198546D+00  0.596767D+01
      2  -0.138314D+01 -0.579202D+01 -0.769783D+01 -0.275149D+01 -0.488643D+01
      3   0.171614D+01  0.563923D+01  0.565916D+01 -0.602643D+00  0.500969D+01
                81            82            83            84            85 
      1   0.645204D+01 -0.554116D+00  0.217362D+00  0.236412D+01 -0.755076D+00
      2  -0.123844D+02  0.212606D+01  0.514494D+00 -0.117080D+01  0.355615D+01
      3   0.526066D+01  0.302557D+01 -0.117915D+01  0.989109D+00  0.518064D+01
                86            87            88            89            90 
      1   0.162650D+00 -0.242950D+01  0.610931D+01  0.367629D+01  0.276777D+00
      2   0.758915D+00  0.985488D+00 -0.116074D+02  0.229514D+00 -0.841261D+00
      3  -0.589299D+01  0.103018D+01 -0.130063D+00 -0.858642D+00 -0.526774D+01
                91            92            93            94            95 
      1   0.689583D+00  0.832906D+00 -0.132494D+01  0.134483D+01 -0.102444D+00
      2  -0.301583D+00  0.238507D+01  0.861185D+00  0.137217D+01 -0.306866D+01
      3  -0.766401D+00 -0.107025D+02 -0.242194D+01  0.452175D+01 -0.131231D+01
                96            97            98            99           100 
      1  -0.240473D+01 -0.466616D+01  0.116720D+01 -0.135459D+01  0.216396D+00
      2   0.383915D+01 -0.754915D+01  0.745026D+01  0.521139D+01  0.164607D-02
      3   0.193086D+01 -0.399291D+00  0.304466D+01 -0.390178D+01 -0.100582D+01
               101           102           103           104           105 
      1  -0.846575D+00 -0.858509D+00 -0.106438D+01 -0.306318D+01  0.133026D+01
      2  -0.294604D+00  0.665913D+01 -0.455322D+01 -0.412246D-01  0.383062D+00
      3  -0.676354D+01  0.354784D-01  0.103286D+02  0.496762D+00  0.144756D+01
               106           107           108           109           110 
      1  -0.164322D+01  0.104979D+02  0.286644D+01 -0.747855D+00 -0.549997D+00
      2   0.635065D+01  0.180960D+01  0.144393D+01 -0.987869D+00  0.221796D+01
      3   0.444969D+01  0.102281D+01  0.189772D-01  0.148046D+01 -0.108055D+02
               111           112           113           114           115 
      1   0.214388D+01 -0.153079D+01  0.703594D-01 -0.196614D+01  0.616507D+01
      2   0.273392D+01 -0.120550D+01  0.340979D+01 -0.448626D+01 -0.433057D+01
      3  -0.209564D+01  0.623692D+01  0.318235D+00 -0.224187D+01 -0.311087D+00
               116           117           118           119           120 
      1   0.296110D+01  0.159672D+01 -0.569484D-01  0.138046D+01 -0.163028D+01
      2  -0.907280D+01 -0.307042D+01  0.375344D+01  0.208711D+01 -0.527808D+00
      3  -0.412499D+01  0.363917D+01 -0.225339D+01 -0.310170D+01 -0.258681D+01
               121           122           123           124           125 
      1   0.125338D+01  0.435206D+00 -0.248472D+01 -0.467615D+01  0.221550D+01
      2   0.169633D+01 -0.752395D+00 -0.121003D+01 -0.127098D+02 -0.851372D+00
      3   0.258311D+01  0.631450D+01 -0.266762D-01 -0.339249D+01 -0.122773D+01
               126           127           128           129           130 
      1  -0.601669D+00  0.390705D+00 -0.825480D+00  0.196165D+01  0.218789D+00
      2  -0.388028D+01  0.164176D+01 -0.830776D+00  0.347916D+00 -0.653613D+00
      3   0.443887D+01 -0.874828D+01  0.368273D+01  0.209261D+00  0.652798D+01
               131           132           133           134           135 
      1  -0.757967D-01 -0.320837D+01 -0.219984D+00  0.162732D+01  0.832452D-02
      2   0.118500D+01 -0.764570D+00 -0.155106D+01  0.660227D+00 -0.292933D+00
      3  -0.545966D+01 -0.121697D+01 -0.274076D+00 -0.674590D+00 -0.236602D+00
               136           137           138           139           140 
      1  -0.221374D+00  0.521225D-01 -0.178780D+01 -0.205394D+00  0.555334D+00
      2   0.398534D+00  0.647013D+00  0.179638D+01  0.625196D+00  0.310821D+01
      3  -0.761876D+00 -0.232808D+01 -0.441467D+00 -0.142998D+01 -0.129085D+02
               141           142           143           144           145 
      1  -0.421885D+01  0.580020D+00  0.192406D+01 -0.700863D+00 -0.114275D+00
      2   0.364632D+01 -0.373614D+00  0.403807D+00  0.106975D+01  0.166894D+01
      3  -0.275875D+01 -0.684425D+00 -0.357029D+01 -0.871896D+00 -0.283489D+00
               146           147           148           149           150 
      1   0.454422D+00 -0.464234D+00  0.115366D+00 -0.301265D-01 -0.339964D+00
      2  -0.130155D+00  0.644889D+01  0.170634D+01  0.414549D+00  0.753015D+00
      3  -0.525491D+01  0.218132D+00 -0.380913D+01 -0.861244D+00 -0.436727D+00
               151           152           153           154           155 
      1   0.247849D+00  0.648563D+00  0.276415D-01  0.292610D+00 -0.787209D+00
      2  -0.222454D+01 -0.426505D-01  0.604211D+00  0.150925D+00 -0.230795D+00
      3  -0.137257D+01 -0.777240D+00 -0.199591D+00  0.152728D+01 -0.456326D+01
               156           157           158           159           160 
      1   0.213282D+01  0.296106D+00  0.265337D+00 -0.338265D+01 -0.842140D+00
      2   0.262116D+01  0.842175D+00 -0.154155D+01 -0.356773D+01 -0.552437D+00
      3  -0.164733D+00 -0.325701D+01  0.111139D+02  0.148322D+01 -0.119629D+01
               161           162           163           164           165 
      1   0.145181D+01 -0.371260D+00  0.171732D+00  0.275786D+00 -0.157091D+01
      2   0.174072D+00 -0.494044D+00 -0.196476D+01 -0.133693D+01 -0.789432D-01
      3   0.266198D+01  0.629811D+00  0.643202D+01  0.385946D+01  0.136367D+01
               166           167           168           169           170 
      1   0.357838D+00  0.880266D+00 -0.384605D+01  0.520020D+00  0.234326D+01
      2  -0.175869D+01 -0.231452D+01 -0.179246D+00 -0.221068D+01 -0.946978D+00
      3   0.662482D+01  0.803624D+01  0.253154D+01  0.253301D+01  0.260487D+01
               171 
      1  -0.721098D+00
      2  -0.151538D+00
      3   0.653219D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.323162D+02  0.152501D+01  0.640715D+00 -0.809448D+01 -0.471162D+01
      2   0.179201D+02 -0.283915D+01 -0.158497D+01  0.182667D+01  0.124362D+02
      3   0.143961D+02  0.131414D+01  0.944257D+00  0.626781D+01 -0.772458D+01
      4   0.450182D+01  0.557063D+01 -0.182959D+01  0.186921D+02 -0.215202D+02
      5  -0.490696D+01 -0.183405D+01  0.628599D+01 -0.904400D+01  0.111773D+02
      6  -0.202110D+01  0.832297D-01 -0.226208D+01  0.420501D+01 -0.636905D+01
                 6             7             8             9            10 
      1   0.567337D+00  0.172229D+01  0.249811D+01 -0.332991D+01  0.101613D+02
      2   0.102423D+01 -0.156749D+01 -0.156699D+01 -0.478760D+01 -0.346450D+01
      3  -0.159157D+01 -0.154808D+00 -0.931117D+00  0.811751D+01 -0.669676D+01
      4   0.116192D+02 -0.634047D+01  0.485315D+01 -0.639455D+01 -0.306421D+01
      5  -0.651782D+01  0.119549D+02 -0.681921D+01  0.925518D+01  0.490678D+01
      6   0.115688D+02 -0.183989D+01  0.754018D+01 -0.589661D+01  0.155999D+01
                11            12            13            14            15 
      1   0.139898D+01 -0.751448D+00  0.439299D+01 -0.122220D+01  0.627286D+01
      2   0.118823D+01 -0.742893D+00  0.933868D+00  0.388214D+00 -0.850714D+01
      3  -0.258721D+01  0.149434D+01 -0.532686D+01  0.833989D+00  0.223428D+01
      4  -0.106882D+02  0.359884D+01 -0.214700D+02 -0.397063D+01 -0.159370D+02
      5   0.402970D+01 -0.134603D+02  0.104364D+02 -0.152254D+02 -0.137798D+02
      6   0.882458D-01 -0.160340D+01 -0.417969D+01 -0.546555D+01 -0.139817D+02
                16            17            18            19            20 
      1   0.965000D+01  0.659248D+01 -0.154458D+01  0.590301D+02 -0.852434D+01
      2  -0.808744D+01 -0.288063D+01  0.434217D+01 -0.308401D+02  0.338660D+01
      3  -0.156256D+01 -0.371184D+01 -0.279759D+01 -0.281900D+02  0.513774D+01
      4   0.110123D+02 -0.919697D+01 -0.187397D+02 -0.210792D+02  0.102538D+02
      5  -0.245457D+02 -0.172508D+02 -0.109278D+01  0.133126D+02 -0.290006D+01
      6  -0.101912D+02 -0.104474D+02 -0.163040D+01 -0.180219D+01  0.135344D+01
                21            22            23            24            25 
      1   0.367905D+01  0.831417D+00  0.328986D+01  0.303673D+00 -0.129054D+01
      2  -0.293229D+01 -0.173250D+01 -0.642643D+00 -0.140619D+00  0.657408D-01
      3  -0.746758D+00  0.901079D+00 -0.264722D+01 -0.163054D+00  0.122480D+01
      4  -0.244890D+01  0.678397D+01 -0.313237D+01  0.169108D+00  0.112794D+01
      5   0.754663D+01  0.471076D+00  0.629466D+00 -0.538061D+00  0.595131D+01
      6  -0.164081D+01  0.121033D+01 -0.134769D+00  0.143179D+01 -0.116958D+01
                26            27            28            29            30 
      1   0.706710D+00  0.303965D+01  0.251782D+01  0.239644D+01  0.324882D+01
      2   0.204084D+00 -0.239832D+01 -0.169902D+01 -0.121565D+01 -0.196159D+01
      3  -0.910794D+00 -0.641330D+00 -0.818791D+00 -0.118079D+01 -0.128723D+01
      4  -0.427495D+00 -0.156948D+01  0.760897D+01  0.818398D+01  0.381044D+01
      5  -0.135371D+01  0.214008D+01  0.712946D+01  0.374917D+01  0.950537D+01
      6   0.889225D+00 -0.286063D+00  0.488313D+01  0.185890D+01  0.259079D+01
                31            32            33            34            35 
      1   0.214067D+01 -0.688388D+01 -0.569854D+01  0.157828D+01 -0.573872D+01
      2  -0.736797D+00  0.705737D+01  0.350477D+01 -0.227409D+01  0.122533D+01
      3  -0.140387D+01 -0.173483D+00  0.219377D+01  0.695817D+00  0.451339D+01
      4   0.108332D+02  0.181918D+02  0.115028D+02  0.497117D+01  0.108743D+02
      5   0.506909D+01  0.109810D+02  0.124761D+02  0.126108D+02  0.113521D+02
      6   0.406461D+01  0.126577D+02  0.121191D+02  0.522705D+01  0.115438D+02
                36            37            38            39            40 
      1  -0.818711D+01 -0.594467D+02 -0.160658D+02  0.517603D+01 -0.140181D+02
      2  -0.359191D+01  0.243812D+02  0.119283D+02  0.677037D+00  0.804996D+01
      3   0.117790D+02  0.350654D+02  0.413751D+01 -0.585306D+01  0.596815D+01
      4   0.121186D+02 -0.204216D+02  0.770649D+01 -0.261863D+01  0.102037D+02
      5   0.189508D+02  0.799212D+01 -0.104008D+00  0.104361D+02 -0.536296D+01
      6   0.135897D+02  0.137458D+01 -0.694963D+01  0.396784D+01 -0.553315D+01
                41            42            43            44            45 
      1   0.213391D+02 -0.226899D+01 -0.497291D+01 -0.324180D+01  0.110051D+02
      2  -0.133485D+02  0.147553D+02  0.761788D+01  0.124227D+02 -0.346406D+01
      3  -0.799062D+01 -0.124863D+02 -0.264497D+01 -0.918093D+01 -0.754100D+01
      4  -0.531731D+01  0.114795D+02 -0.114056D+02  0.821638D+01  0.185357D+02
      5   0.706074D+01  0.147680D+02  0.211347D+02  0.164542D+02 -0.388793D+01
      6   0.716144D+01 -0.460370D+01  0.886608D+01 -0.131207D+01 -0.923595D+01
                46            47            48            49            50 
      1  -0.179625D+02 -0.881295D+00 -0.154650D+01  0.407876D+01 -0.997499D+01
      2   0.575654D+01 -0.346188D-01 -0.229227D+00 -0.490324D+01  0.132086D+02
      3   0.122060D+02  0.915914D+00  0.177573D+01  0.824485D+00 -0.323361D+01
      4   0.899741D+01  0.401478D+01 -0.194095D-01 -0.109281D+02 -0.378578D+01
      5  -0.655917D+01 -0.723366D+00  0.135270D+00 -0.474611D+01  0.594038D+00
      6  -0.295398D+01  0.733687D+00  0.808654D+00 -0.330646D+01  0.527140D+01
                51            52            53            54            55 
      1  -0.106304D+01 -0.759680D+01 -0.269587D+01 -0.947765D+01 -0.140769D+01
      2   0.638016D+01  0.648302D+00  0.382791D+01 -0.240498D+01  0.328712D+01
      3  -0.531712D+01  0.694849D+01 -0.113204D+01  0.118826D+02 -0.187943D+01
      4   0.149359D+00 -0.621510D+01 -0.125130D+00  0.230137D+01  0.235722D+01
      5   0.120960D+01  0.392698D+01  0.187496D+01 -0.237548D-01  0.559911D+00
      6  -0.830675D+00 -0.296089D+00  0.608724D+01 -0.324637D+01 -0.336453D+01
                56            57            58            59            60 
      1   0.102279D+02 -0.513129D+01  0.998772D+01 -0.236085D+02  0.947033D+01
      2  -0.853860D+01  0.161568D+01 -0.671752D+01  0.267846D+02 -0.658089D+01
      3  -0.168930D+01  0.351561D+01 -0.327020D+01 -0.317607D+01 -0.288944D+01
      4  -0.152313D+01  0.693075D+00  0.318600D+01  0.222880D+02 -0.888775D+01
      5  -0.106138D+01 -0.166226D+01 -0.381626D+01 -0.612343D+01  0.586221D+01
      6   0.509003D+01 -0.393261D+01  0.170888D+01 -0.187851D+02  0.118234D+02
                61            62            63            64            65 
      1  -0.191235D+01  0.768181D+01 -0.980737D+01  0.864958D+02  0.104902D+02
      2   0.302112D+00 -0.436847D+01  0.352588D+01 -0.420769D+02 -0.312090D+01
      3   0.161023D+01 -0.331334D+01  0.628149D+01 -0.444190D+02 -0.736925D+01
      4   0.540229D+00 -0.611343D+01  0.373447D+01  0.282678D+02  0.146790D+02
      5   0.569922D+00  0.364239D+01 -0.453559D+01 -0.224664D+02 -0.405301D+01
      6  -0.189434D+01  0.106155D+02 -0.712630D+01 -0.357486D+01 -0.267935D+01
                66            67            68            69            70 
      1  -0.250409D+01  0.687152D+01  0.626849D+01  0.302934D+00  0.637441D+01
      2   0.409846D+01 -0.808723D+00 -0.113555D+01 -0.111375D+01 -0.678335D+00
      3  -0.159437D+01 -0.606280D+01 -0.513294D+01  0.810817D+00 -0.569608D+01
      4  -0.248306D+01  0.153160D+02  0.799246D+01 -0.221126D+01  0.222396D+01
      5   0.130054D+02 -0.187690D+01 -0.332798D+01  0.585239D+00  0.100831D+02
      6   0.310754D+01 -0.233880D+01 -0.218928D+01  0.237757D+01  0.250030D+01
                71            72            73            74            75 
      1   0.682893D+00  0.663490D+01  0.322866D+01 -0.135497D+01 -0.614887D+01
      2  -0.632297D+00 -0.461333D+01 -0.362658D+01  0.384925D-01  0.669213D+00
      3  -0.505961D-01 -0.202157D+01  0.397922D+00  0.131648D+01  0.547966D+01
      4   0.592603D+00  0.120244D+01 -0.931236D+00 -0.131652D+01  0.460134D-01
      5   0.224397D+00 -0.756398D+00 -0.278539D+01  0.169806D+01  0.290499D+00
      6   0.165091D+01  0.565014D+00  0.167347D+01  0.183396D+01 -0.360991D+00
                76            77            78            79            80 
      1  -0.440979D+01 -0.698017D+01 -0.528170D+01 -0.460215D+01 -0.384840D+01
      2   0.303009D+01 -0.539843D+00 -0.735241D+01  0.326057D+01 -0.604238D+01
      3   0.137971D+01  0.752001D+01  0.126341D+02  0.134158D+01  0.989079D+01
      4   0.249690D+00 -0.107413D+02 -0.960374D+01  0.674116D+00 -0.874361D+01
      5   0.612983D+01 -0.767364D+01 -0.138781D+02  0.568888D+01 -0.748463D+01
      6   0.432139D+00  0.722245D+01  0.706208D+01 -0.353868D+00  0.655281D+01
                81            82            83            84            85 
      1  -0.139998D+02  0.898241D+00  0.166212D+02  0.510229D+01 -0.540547D+01
      2  -0.124729D+02 -0.277543D+01 -0.121530D+02 -0.113125D+01  0.125048D+02
      3   0.264727D+02  0.187719D+01 -0.446821D+01 -0.397103D+01 -0.709937D+01
      4  -0.957071D+01  0.107032D+02 -0.101532D+02 -0.206530D+00  0.359133D+01
      5  -0.204970D+02  0.387857D+01 -0.885394D+00 -0.171960D+01  0.295296D+01
      6   0.497616D+01  0.276487D+01 -0.286073D+01 -0.421745D+01  0.789270D+01
                86            87            88            89            90 
      1   0.320358D+01  0.413303D+01 -0.590001D+00  0.717551D+01 -0.130360D+02
      2  -0.574069D+01 -0.351710D+01  0.537273D+01 -0.905129D+01  0.137857D+01
      3   0.253711D+01 -0.615934D+00 -0.478273D+01  0.187577D+01  0.116574D+02
      4   0.145800D+02  0.268486D+01  0.308334D+01  0.589263D+00  0.355516D+01
      5   0.262221D+01  0.106456D+01  0.442343D+01  0.265417D+01 -0.184247D+01
      6  -0.572199D+01  0.475066D+01 -0.228843D+01  0.116064D+02 -0.275587D+00
                91            92            93            94            95 
      1   0.793015D+01 -0.218345D+02 -0.308088D+01  0.204753D+02  0.121205D+02
      2  -0.681934D+01  0.149605D+02  0.126969D+01 -0.179720D+02 -0.144159D+02
      3  -0.111081D+01  0.687405D+01  0.181119D+01 -0.250332D+01  0.229541D+01
      4  -0.142593D+02 -0.686145D+01 -0.502570D+01  0.878436D+01 -0.399255D+01
      5  -0.628629D+01 -0.347548D+01 -0.112795D+01  0.224610D+00 -0.709626D+01
      6  -0.572001D+01 -0.122900D+01  0.288130D+01 -0.516488D+01 -0.113606D+02
                96            97            98            99           100 
      1   0.400671D+01  0.394216D+01 -0.365860D+00 -0.515819D+01 -0.150826D+02
      2  -0.649969D+01 -0.743413D+01 -0.830040D+01 -0.583438D+01  0.988559D+01
      3   0.249298D+01  0.349197D+01  0.866626D+01  0.109926D+02  0.519701D+01
      4  -0.635249D+01 -0.466432D+01 -0.110608D+02  0.112834D+02 -0.229718D+01
      5   0.776027D+01  0.112525D+02  0.119838D+02  0.991363D+01 -0.619128D+01
      6   0.283624D+01  0.501433D+01  0.117538D+02  0.313399D+01  0.130670D+01
               101           102           103           104           105 
      1  -0.205355D+01 -0.649769D+01  0.781175D+01 -0.215871D+02 -0.849922D+01
      2   0.157266D+01  0.337522D+01 -0.561756D+01  0.180418D+02  0.101395D+02
      3   0.480894D+00  0.312247D+01 -0.219419D+01  0.354528D+01 -0.164032D+01
      4   0.211872D+02  0.101394D+01 -0.185881D+02 -0.508164D+01 -0.447432D+01
      5   0.756749D+00  0.146173D+02 -0.130240D+02 -0.179578D+01  0.152107D+00
      6   0.683969D+00  0.178966D+01 -0.363435D+01  0.425712D+01 -0.186776D+01
               106           107           108           109           110 
      1  -0.591898D+01 -0.937527D+01  0.117024D+02  0.703922D+00  0.228318D+02
      2   0.914820D+00  0.731281D+01 -0.150985D+02 -0.390160D+01 -0.143859D+02
      3   0.500416D+01  0.206246D+01  0.339610D+01  0.319768D+01 -0.844591D+01
      4  -0.137420D+02 -0.944144D+00  0.795979D+00  0.191724D+02  0.197999D+01
      5   0.315101D+02  0.235696D+01  0.424005D+01  0.557678D+00  0.138201D+01
      6   0.676787D+00  0.534118D+01 -0.424689D+01  0.138667D+01 -0.269812D+01
               111           112           113           114           115 
      1   0.624560D+01 -0.234585D+02  0.561876D+01  0.118441D+01 -0.871724D+01
      2  -0.831122D+00  0.219465D+02 -0.901014D+01 -0.139544D+01  0.106819D+02
      3  -0.541447D+01  0.151198D+01  0.339138D+01  0.211031D+00 -0.196466D+01
      4   0.320758D+01  0.364047D+01  0.111398D+02  0.998885D+01 -0.342843D+00
      5   0.553258D+01 -0.528501D+01  0.838798D+01 -0.826439D+01  0.172045D+02
      6  -0.495524D+01  0.767525D+01 -0.675699D+01  0.393288D+01 -0.568622D+01
               116           117           118           119           120 
      1   0.584199D+01  0.186408D+01  0.911743D+01 -0.125228D+02 -0.876569D+00
      2  -0.935596D+01 -0.779453D+01 -0.692200D+01  0.105313D+02 -0.424083D-01
      3   0.351398D+01  0.593045D+01 -0.219543D+01  0.199147D+01  0.918977D+00
      4   0.101997D+02 -0.122226D+02 -0.119328D+02 -0.173381D+02 -0.424581D+01
      5  -0.129949D+02 -0.748043D+01  0.395766D+00 -0.305760D+01 -0.406327D+01
      6   0.108132D+02 -0.162356D+01 -0.298759D+01 -0.126065D+01  0.298919D+01
               121           122           123           124           125 
      1   0.109295D+01  0.959932D+01  0.633339D+01  0.324907D+01  0.412402D+01
      2  -0.817882D+01 -0.116456D+02 -0.764351D+01 -0.551972D+01 -0.103494D+02
      3   0.708587D+01  0.204632D+01  0.131012D+01  0.227065D+01  0.622538D+01
      4   0.120070D+02 -0.119292D+02 -0.156516D+01 -0.220666D+00 -0.397907D+01
      5  -0.365387D+00 -0.223124D+01 -0.114159D+01  0.158111D+01 -0.482507D+01
      6  -0.572299D+01 -0.112517D+02  0.207549D+01  0.147421D+01  0.106522D+02
               126           127           128           129           130 
      1  -0.138541D+02 -0.480194D+01  0.781948D+01  0.966573D+00  0.842069D+01
      2  -0.154687D+01  0.678683D+01 -0.107306D+02 -0.762726D+00 -0.112123D+02
      3   0.154010D+02 -0.198490D+01  0.291116D+01 -0.203847D+00  0.279158D+01
      4  -0.647144D+01 -0.842940D+01  0.811420D+01  0.110663D+01  0.774318D+01
      5  -0.680663D+01 -0.681577D+00  0.120125D+01  0.118991D+01  0.124339D+01
      6   0.452635D+01  0.882843D+00 -0.110151D+01 -0.257565D+01 -0.222681D+01
               131           132           133           134           135 
      1  -0.217207D+02 -0.355671D+01  0.155017D+01 -0.412103D+01 -0.116362D+01
      2   0.291650D+02  0.290011D+01 -0.203728D+01  0.476997D+01  0.191643D+01
      3  -0.744427D+01  0.656599D+00  0.487110D+00 -0.648945D+00 -0.752810D+00
      4  -0.810850D+01 -0.901258D+00  0.105357D+01 -0.105818D+01 -0.192129D+01
      5  -0.129320D+01 -0.113573D+01  0.127339D+01 -0.886638D+00 -0.783615D+00
      6   0.474485D+01  0.547863D+01 -0.132934D+01  0.274510D+01  0.156011D+01
               136           137           138           139           140 
      1   0.632228D+01  0.530438D+01  0.129382D+01 -0.378700D+00 -0.139475D+02
      2   0.254695D+01  0.437751D+01  0.370333D-01  0.103316D+02  0.339599D+02
      3  -0.886923D+01 -0.968189D+01 -0.133086D+01 -0.995290D+01 -0.200124D+02
      4   0.195898D+02  0.232312D+02  0.578049D+01  0.241507D+02  0.454078D+02
      5   0.532149D+01  0.578475D+01  0.524180D+01  0.589039D+01  0.101150D+02
      6   0.382129D+01  0.429837D+01  0.342768D+01  0.576006D+01  0.134234D+02
               141           142           143           144           145 
      1  -0.357216D+01  0.390718D+00 -0.291380D+01 -0.227012D+01  0.999190D+02
      2   0.516314D+01  0.191384D+01  0.686423D+01  0.320323D+01 -0.567770D+02
      3  -0.159098D+01 -0.230456D+01 -0.395042D+01 -0.933105D+00 -0.431420D+02
      4   0.102983D+02  0.700512D+01  0.124069D+02  0.514608D+01  0.936047D+01
      5   0.715217D+01  0.288389D+01  0.445185D+01  0.335129D+01  0.120616D+02
      6   0.955480D+01  0.282018D+01  0.643185D+01  0.436645D+01 -0.247138D+01
               146           147           148           149           150 
      1   0.664123D+01  0.772094D+01  0.455267D+01  0.945359D+01  0.166177D+01
      2  -0.328958D+01 -0.538426D+01 -0.197966D+01 -0.442012D+01 -0.138415D+01
      3  -0.335165D+01 -0.233668D+01 -0.257301D+01 -0.503347D+01 -0.277623D+00
      4   0.911716D+01  0.261977D+00  0.149578D+02  0.295114D+01  0.149533D+01
      5   0.331800D+00  0.116005D+02  0.338815D+01  0.170764D+01  0.123180D+01
      6   0.392350D+00  0.274622D+00  0.101295D+01 -0.102862D+00  0.140331D+01
               151           152           153           154           155 
      1   0.948762D+01  0.198189D+01  0.493198D+01  0.194644D+02 -0.123553D+02
      2  -0.568827D+01 -0.111805D+01 -0.318312D+01 -0.283216D+01 -0.178979D+01
      3  -0.379935D+01 -0.863846D+00 -0.174886D+01 -0.166322D+02  0.141451D+02
      4   0.373614D+01  0.149250D+01  0.849270D+00 -0.312495D+02  0.295335D+02
      5   0.533704D+01  0.544527D+00  0.244170D+01 -0.595093D+01  0.421657D+01
      6   0.121461D+00  0.697251D+00  0.352607D+00  0.213926D+01 -0.178839D+01
               156           157           158           159           160 
      1  -0.247108D+01 -0.764880D+01  0.148080D+01  0.582969D+00 -0.631668D+00
      2   0.914894D+00 -0.689081D+01  0.186063D+02  0.102271D+01 -0.129898D+01
      3   0.155619D+01  0.145396D+02 -0.200871D+02 -0.160568D+01  0.193065D+01
      4   0.420472D+01  0.323346D+02 -0.442742D+02 -0.744437D+01  0.580340D+01
      5   0.600222D+01  0.660780D+01 -0.787639D+01 -0.673392D+01  0.298172D+01
      6  -0.329944D+01 -0.406510D+01  0.593038D+01  0.631514D+01 -0.227859D+01
               161           162           163           164           165 
      1  -0.352332D+00 -0.266246D+00 -0.553712D+01 -0.823051D+01 -0.308629D+01
      2   0.297350D+01  0.143568D+01  0.655306D+01  0.939750D+01  0.195596D+01
      3  -0.262117D+01 -0.116943D+01 -0.101594D+01 -0.116699D+01  0.113034D+01
      4  -0.786616D+01 -0.425809D+01  0.418041D+01  0.720112D+01  0.167506D+01
      5  -0.336432D+01 -0.195434D+01  0.119626D+01  0.146541D+01  0.159184D+01
      6   0.359644D+01  0.233188D+01  0.310285D+01  0.415120D+01  0.301038D+01
               166           167           168           169           170 
      1  -0.795935D+01 -0.303322D+02 -0.922649D+01 -0.270164D+01 -0.897974D+01
      2   0.955985D+01  0.384408D+02  0.793959D+01  0.281827D+01  0.971789D+01
      3  -0.160050D+01 -0.810857D+01  0.128690D+01 -0.116631D+00 -0.738151D+00
      4   0.543793D+01  0.377833D+00 -0.525654D+00  0.169965D+01  0.290195D+00
      5   0.110692D+01 -0.632120D+00 -0.272714D+00  0.110327D+01  0.515091D+00
      6   0.369464D+01  0.139903D+02  0.950205D+01  0.170229D+01  0.613470D+01
               171 
      1  -0.438209D+01
      2   0.408990D+01
      3   0.292186D+00
      4   0.162539D+01
      5   0.852515D+00
      6   0.468656D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x         -0.453322D+00     -0.115223D+01     -0.384342D+01
   y         -0.449613D+00     -0.114280D+01     -0.381198D+01
   z          0.220954D+00      0.561610D+00      0.187333D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.121710D+03      0.180355D+02      0.200672D+02
   yx         0.123939D+01      0.183659D+00      0.204349D+00
   yy         0.977839D+02      0.144901D+02      0.161224D+02
   zx         0.142346D+01      0.210935D+00      0.234697D+00
   zy         0.658964D+01      0.976484D+00      0.108648D+01
   zz         0.653078D+02      0.967761D+01      0.107678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100255D+03      0.148563D+02      0.165299D+02
   aniso      0.500343D+02      0.741432D+01      0.824954D+01
   xx         0.126926D+03      0.188085D+02      0.209272D+02
   yx         0.107511D+01      0.159315D+00      0.177262D+00
   yy         0.102892D+03      0.152471D+02      0.169646D+02
   zx         0.148434D+01      0.219956D+00      0.244734D+00
   zy         0.652113D+01      0.966332D+00      0.107519D+01
   zz         0.709480D+02      0.105134D+02      0.116977D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -4.26489402          1.77909395          1.12281617
     6         -2.27859880          0.31983221          2.22092033
     1         -5.33889901          2.38031343          2.46235911
     1         -3.05056875         -1.47594418          2.91585410
     6         -1.06817656          1.72764595          4.43270801
     6         -0.35986096         -0.26988605          0.19277802
     1          0.44991963          0.61016929          5.26663239
     1         -2.46434331          2.10973542          5.90833549
     1         -0.28050423          3.51819641          3.78126826
     6          0.02177638          1.35539963         -1.84092584
     6          1.87242550          0.83044597         -3.62921229
     6          3.36533722         -1.31826723         -3.40363381
     6          2.98882733         -2.95143712         -1.38079957
     6          1.13308299         -2.42844570          0.39972143
     1         -1.15574686          3.01408543         -2.02267171
     1          2.14509964          2.10310151         -5.20790339
     1          4.80293561         -1.72546622         -4.80049219
     1          4.12967336         -4.63962440         -1.19746686
     1          0.83268800         -3.71905054          1.96222412

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.675629D+00      0.171728D+01      0.572822D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.913450D+02      0.135359D+02      0.150608D+02
   yx        -0.173592D+02     -0.257237D+01     -0.286215D+01
   yy         0.907608D+02      0.134494D+02      0.149644D+02
   zx        -0.219993D+02     -0.325996D+01     -0.362719D+01
   zy        -0.421763D+01     -0.624989D+00     -0.695394D+00
   zz         0.102696D+03      0.152179D+02      0.169322D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100255D+03      0.148563D+02      0.165299D+02
   aniso      0.500343D+02      0.741432D+01      0.824954D+01
   xx         0.968978D+02      0.143588D+02      0.159763D+02
   yx        -0.172389D+02     -0.255454D+01     -0.284231D+01
   yy         0.961025D+02      0.142409D+02      0.158452D+02
   zx        -0.218714D+02     -0.324100D+01     -0.360610D+01
   zy        -0.405932D+01     -0.601529D+00     -0.669292D+00
   zz         0.107766D+03      0.159692D+02      0.177682D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-14\Freq\RM11\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P M11
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 @


 NO HUMAN INVESTIGATION CAN BECOME REAL SCIENCE
 WITHOUT GOING THROUGH MATHEMATICAL PEOPLE.
 -- LEONARDO DA VINCI, IN "PENSIERI" CA. 1492
 Job cpu time:       0 days  2 hours 20 minutes 53.7 seconds.
 Elapsed time:       0 days  0 hours 17 minutes 40.9 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:01:40 2021.
